Cas no 74048-10-5 (Benzonitrile, 3-(2-methyl-5-oxazolyl)-)
74048-10-5 structure
Product Name:Benzonitrile, 3-(2-methyl-5-oxazolyl)-
CAS No:74048-10-5
MF:C11H8N2O
MW:184.19402217865
CID:541695
PubChem ID:54286230
Update Time:2025-04-19
Benzonitrile, 3-(2-methyl-5-oxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-(2-methyl-5-oxazolyl)-
- 3-(2-methyl-1,3-oxazol-5-yl)benzonitrile
- 74048-10-5
- SCHEMBL9863439
- SY314283
- 3-(2-Methyl-5-oxazolyl)benzonitrile
- 3-(2-Methyloxazol-5-yl)benzonitrile
- DTXSID90710328
-
- Inchi： 1S/C11H8N2O/c1-8-13-7-11(14-8)10-4-2-3-9(5-10)6-12/h2-5,7H,1H3
- InChI Key： RUHONOASDPNPFI-UHFFFAOYSA-N
- SMILES： O1C(C)=NC=C1C1C=CC=C(C#N)C=1
Computed Properties
- Exact Mass: 184.063662883g/mol
- Monoisotopic Mass: 184.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 245
- 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: 2.1
- Topological Polar Surface Area: 49.8?2
Benzonitrile, 3-(2-methyl-5-oxazolyl)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
74048-10-5 (Benzonitrile, 3-(2-methyl-5-oxazolyl)-) Related Products
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