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

C17H13ClN2O3 — CID 20963631

IUPACN-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2ocnc2C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H13ClN2O3/c1-22-14-7-2-4-11(8-14)16-15(19-10-23-16)17(21)20-13-6-3-5-12(18)9-13/h2-10H,1H3,(H,20,21)
InChIKeyVEJXSZIHFACTJW-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.26
Rot. Bonds4

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

N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 20963631) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID20963631
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2ocnc2C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H13ClN2O3/c1-22-14-7-2-4-11(8-14)16-15(19-10-23-16)17(21)20-13-6-3-5-12(18)9-13/h2-10H,1H3,(H,20,21)
InChIKeyVEJXSZIHFACTJW-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-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
N-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963660
N-(3-fluoro-4-methylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963666
ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
CID 20963655
N-(2,4-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963654
5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide
CID 51492688
methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate
CID 110689290
N-[3-carbamoyl-4-(4-methylpiperidin-1-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 126470018
5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963785
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676
N-(2,5-dimethoxyphenyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 20963718

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 20963631) is N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide is COc1cccc(-c2ocnc2C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VEJXSZIHFACTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-14-7-2-4-11(8-14)16-15(19-10-23-16)17(21)20-13-6-3-5-12(18)9-13/h2-10H,1H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-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 N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).