Cas no 74839-91-1 (Benzoxazole, 5-methyl-2-(1-naphthalenyl)-)
74839-91-1 structure
Product Name:Benzoxazole, 5-methyl-2-(1-naphthalenyl)-
CAS No:74839-91-1
MF:C18H13NO
MW:259.301924467087
CID:1773546
PubChem ID:71403874
Update Time:2025-04-21
Benzoxazole, 5-methyl-2-(1-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoxazole, 5-methyl-2-(1-naphthalenyl)-
- 5-methyl-2-naphthalen-1-yl-1,3-benzoxazole
- 5-Methyl-2-(naphthalen-1-yl)-1,3-benzoxazole
- SCHEMBL25246874
- 5-methyl-2-(1-naphthyl)-1,3-benzoxazole
- 74839-91-1
- DTXSID10824754
-
- Inchi： 1S/C18H13NO/c1-12-9-10-17-16(11-12)19-18(20-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3
- InChI Key： KBTFJNLSJQUKMM-UHFFFAOYSA-N
- SMILES： O1C2C=CC(C)=CC=2N=C1C1=CC=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 259.09979
- Monoisotopic Mass: 259.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 344
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Benzoxazole, 5-methyl-2-(1-naphthalenyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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