3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide

C21H15ClFN3O2 — CID 38277078

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C)c2ncccc12
InChIInChI=1S/C21H15ClFN3O2/c1-11-8-9-16(13-5-4-10-24-19(11)13)25-21(27)17-12(2)28-26-20(17)18-14(22)6-3-7-15(18)23/h3-10H,1-2H3,(H,25,27)
InChIKeyIMDWMZDJWJJEKZ-UHFFFAOYSA-N
MW395.82 g/mol
LogP5.55
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide (PubChem CID 38277078) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide
PubChem CID38277078
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C)c2ncccc12
InChIInChI=1S/C21H15ClFN3O2/c1-11-8-9-16(13-5-4-10-24-19(11)13)25-21(27)17-12(2)28-26-20(17)18-14(22)6-3-7-15(18)23/h3-10H,1-2H3,(H,25,27)
InChIKeyIMDWMZDJWJJEKZ-UHFFFAOYSA-N
XLogP5.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.82
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-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

3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369580
3-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129473
3-(2-chloro-6-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 5223953
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(2,6-dichlorophenyl)-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-4-carboxamide
CID 5070431
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide
CID 86769878
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 26903019
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide (CID 38277078) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C)c2ncccc12.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is IMDWMZDJWJJEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c1-11-8-9-16(13-5-4-10-24-19(11)13)25-21(27)17-12(2)28-26-20(17)18-14(22)6-3-7-15(18)23/h3-10H,1-2H3,(H,25,27).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 395.82 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 38277078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).