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

C18H13ClF2N2O2 — CID 1129477

IUPAC3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1F
InChIInChI=1S/C18H13ClF2N2O2/c1-9-6-7-11(8-14(9)21)22-18(24)15-10(2)25-23-17(15)16-12(19)4-3-5-13(16)20/h3-8H,1-2H3,(H,22,24)
InChIKeySQTJRHRZARGCIW-UHFFFAOYSA-N
MW362.76 g/mol
LogP5.14
Rot. Bonds3

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

3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1129477) has the molecular formula C18H13ClF2N2O2 and a molecular weight of 362.76 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1129477
Molecular FormulaC18H13ClF2N2O2
Molecular Weight362.76 g/mol
Exact Mass362.06
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1F
InChIInChI=1S/C18H13ClF2N2O2/c1-9-6-7-11(8-14(9)21)22-18(24)15-10(2)25-23-17(15)16-12(19)4-3-5-13(16)20/h3-8H,1-2H3,(H,22,24)
InChIKeySQTJRHRZARGCIW-UHFFFAOYSA-N
XLogP5.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.76
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1129477) is 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1F.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SQTJRHRZARGCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O2/c1-9-6-7-11(8-14(9)21)22-18(24)15-10(2)25-23-17(15)16-12(19)4-3-5-13(16)20/h3-8H,1-2H3,(H,22,24).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 362.76 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1129477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).