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

C17H13ClN2O3 — CID 1093858

IUPAC5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-12-8-6-11(7-9-12)19-17(21)15-10-16(23-20-15)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,21)
InChIKeyQOYWZABNPYYXPP-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.26
Rot. Bonds4

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

5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093858) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093858
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-12-8-6-11(7-9-12)19-17(21)15-10-16(23-20-15)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,21)
InChIKeyQOYWZABNPYYXPP-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 1093858) is 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QOYWZABNPYYXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-12-8-6-11(7-9-12)19-17(21)15-10-16(23-20-15)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,21).
What are the key properties of 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-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 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).