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

C18H14ClFN2O3 — CID 1022224

IUPAC3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1
InChIInChI=1S/C18H14ClFN2O3/c1-10-15(18(23)21-11-6-8-12(24-2)9-7-11)17(22-25-10)16-13(19)4-3-5-14(16)20/h3-9H,1-2H3,(H,21,23)
InChIKeyMLNQXHMNLQNTAS-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.70
Rot. Bonds4

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

3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1022224) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1022224
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1
InChIInChI=1S/C18H14ClFN2O3/c1-10-15(18(23)21-11-6-8-12(24-2)9-7-11)17(22-25-10)16-13(19)4-3-5-14(16)20/h3-9H,1-2H3,(H,21,23)
InChIKeyMLNQXHMNLQNTAS-UHFFFAOYSA-N
XLogP4.70
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1022224) is 3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MLNQXHMNLQNTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-10-15(18(23)21-11-6-8-12(24-2)9-7-11)17(22-25-10)16-13(19)4-3-5-14(16)20/h3-9H,1-2H3,(H,21,23).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 360.77 g/mol, XLogP of 4.70, 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-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1022224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).