Cas no 5415-56-5 ((4Z)-4-(3,4-dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one)
5415-56-5 structure
Product Name:(4Z)-4-(3,4-dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one
CAS No:5415-56-5
MF:C18H15NO4
MW:309.316004991531
CID:939922
PubChem ID:679779
Update Time:2025-04-19
(4Z)-4-(3,4-dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one Chemical and Physical Properties
Names and Identifiers
-
- (4Z)-4-(3,4-dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one
- 4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
- 4-(3,4-dimethoxybenzylidene)-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
- 5(4H)-oxazolone, 4-[(3,4-dimethoxyphenyl)methylene]-2-phenyl-, (4Z)-
- NSC637197
- CHEMBL4536168
- 2-PHENYL-4-VERATRYLIDENE-2-OXAZOLIN-5-ONE
- 4-(3,4-Dimethoxybenzylidene)-2-phenyloxazol-5(4H)-one
- 5415-56-5
- SCHEMBL6789975
- CAS# 5415-56-5
- 4-(3,4-dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
- AKOS003624282
- Z31309245
- NSC-637197
-
- Inchi： 1S/C18H15NO4/c1-21-15-9-8-12(11-16(15)22-2)10-14-18(20)23-17(19-14)13-6-4-3-5-7-13/h3-11H,1-2H3/b14-10+
- InChI Key： LICJICSNXOUQAI-GXDHUFHOSA-N
- SMILES： O1C(/C(=C\C2C=CC(=C(C=2)OC)OC)/N=C1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 309.10015
- Monoisotopic Mass: 309.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 493
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.5
- Topological Polar Surface Area: 57.1?2
Experimental Properties
- Density: 1.2
- Boiling Point: 457.6°C at 760 mmHg
- Flash Point: 199°C
- Refractive Index: 1.581
- PSA: 57.12
(4Z)-4-(3,4-dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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