3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H16ClFN2O3 — CID 19489524

IUPAC3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C18H16ClFN2O3/c1-10-6-7-15(24-2)13(8-10)21-18(23)16-9-14(22-25-16)17-11(19)4-3-5-12(17)20/h3-8,16H,9H2,1-2H3,(H,21,23)
InChIKeyQDJSMGKRFDXSLH-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.93
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19489524) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19489524
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C18H16ClFN2O3/c1-10-6-7-15(24-2)13(8-10)21-18(23)16-9-14(22-25-16)17-11(19)4-3-5-12(17)20/h3-8,16H,9H2,1-2H3,(H,21,23)
InChIKeyQDJSMGKRFDXSLH-UHFFFAOYSA-N
XLogP3.93
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-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

(5S)-3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093568
3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158034
(5R)-3-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093551
3-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489483
3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158036
(5R)-3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093553
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491366
(5S)-3-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7259831
(5S)-3-(2-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638495
(5R)-3-(2-chloro-6-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093600
(5S)-3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093576
3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1222128

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19489524) is 3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C)cc1NC(=O)C1CC(c2c(F)cccc2Cl)=NO1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QDJSMGKRFDXSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-10-6-7-15(24-2)13(8-10)21-18(23)16-9-14(22-25-16)17-11(19)4-3-5-12(17)20/h3-8,16H,9H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 362.79 g/mol, XLogP of 3.93, 4 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)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19489524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).