N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C19H16N2O2 — CID 167771669

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC1Cc2ccccc21
InChIInChI=1S/C19H16N2O2/c1-12-17(18(21-23-12)13-7-3-2-4-8-13)19(22)20-16-11-14-9-5-6-10-15(14)16/h2-10,16H,11H2,1H3,(H,20,22)
InChIKeyDVUDEYSQQHIOOY-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.68
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 167771669) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID167771669
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC1Cc2ccccc21
InChIInChI=1S/C19H16N2O2/c1-12-17(18(21-23-12)13-7-3-2-4-8-13)19(22)20-16-11-14-9-5-6-10-15(14)16/h2-10,16H,11H2,1H3,(H,20,22)
InChIKeyDVUDEYSQQHIOOY-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138383979
5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 139007457
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45190473
3-(2-chlorophenyl)-5-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 2120638
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 39128435
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
CID 165343278
5-methyl-3-phenyl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
CID 18532251
5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
CID 26918414

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 167771669) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DVUDEYSQQHIOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-17(18(21-23-12)13-7-3-2-4-8-13)19(22)20-16-11-14-9-5-6-10-15(14)16/h2-10,16H,11H2,1H3,(H,20,22).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 167771669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).