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

C17H13ClN2O3 — CID 5016616

IUPACN-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-14-7-5-11(6-8-14)16-10-15(20-23-16)17(21)19-13-4-2-3-12(18)9-13/h2-10H,1H3,(H,19,21)
InChIKeyPTZBMKSGPMKOOT-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.26
Rot. Bonds4

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

N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 5016616) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID5016616
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-14-7-5-11(6-8-14)16-10-15(20-23-16)17(21)19-13-4-2-3-12(18)9-13/h2-10H,1H3,(H,19,21)
InChIKeyPTZBMKSGPMKOOT-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-(3-chloro-2-methylphenyl)(5-(2-furyl)isoxazol-3-yl)carboxamide
CID 17253051
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-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685905
N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685908
5-(4-methoxyphenyl)-N-(5-methylisoxazol-3-yl)isoxazole-3-carboxamide
CID 3685910
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617
N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5017077
N-cyclopentyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 6619102
N-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252844

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 5016616) is N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PTZBMKSGPMKOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-14-7-5-11(6-8-14)16-10-15(20-23-16)17(21)19-13-4-2-3-12(18)9-13/h2-10H,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(3-chlorophenyl)-5-(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 N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5016616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).