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

C14H9ClN2O2S — CID 2745203

IUPACN-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H9ClN2O2S/c15-9-3-5-10(6-4-9)16-14(18)11-8-12(19-17-11)13-2-1-7-20-13/h1-8H,(H,16,18)
InChIKeyQUASJRMTBIGCMO-UHFFFAOYSA-N
MW304.76 g/mol
LogP4.31
Rot. Bonds3

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

N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 2745203) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID2745203
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC NameN-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H9ClN2O2S/c15-9-3-5-10(6-4-9)16-14(18)11-8-12(19-17-11)13-2-1-7-20-13/h1-8H,(H,16,18)
InChIKeyQUASJRMTBIGCMO-UHFFFAOYSA-N
XLogP4.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 19582717
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
N-(4-methoxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253078
N-(3-hydroxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253072
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
N-Isopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 2745205
5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238191
N-cyclopentyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3242425
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
N-(4-ethylphenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 15988671
N-(3-chloro-2-methylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 15988683

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 2745203) is N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is QUASJRMTBIGCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-9-3-5-10(6-4-9)16-14(18)11-8-12(19-17-11)13-2-1-7-20-13/h1-8H,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 304.76 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2745203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).