3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide

C17H13ClN2O3 — CID 2769310

IUPAC3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3Cl)no2)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-12-8-6-11(7-9-12)19-17(21)16-10-15(20-23-16)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,21)
InChIKeyDEPJJVFCCCOBAS-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.26
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide

3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 2769310) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID2769310
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3Cl)no2)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-12-8-6-11(7-9-12)19-17(21)16-10-15(20-23-16)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,21)
InChIKeyDEPJJVFCCCOBAS-UHFFFAOYSA-N
XLogP4.26
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093858
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(5-chloro-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 16018404
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016616
N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 7726776
4-chloro-N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 16194126
N-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093727
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118257
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1252051

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (CID 2769310) is 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)no2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is DEPJJVFCCCOBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-12-8-6-11(7-9-12)19-17(21)16-10-15(20-23-16)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,21).
What are the key properties of 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2769310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).