3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide

C12H7ClN2O2S — CID 1246314

IUPAC3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccon1)c1sc2ccccc2c1Cl
InChIInChI=1S/C12H7ClN2O2S/c13-10-7-3-1-2-4-8(7)18-11(10)12(16)14-9-5-6-17-15-9/h1-6H,(H,14,15,16)
InChIKeyRNAARTDCQXPEHJ-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.80
Rot. Bonds2

About 3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide

3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 1246314) has the molecular formula C12H7ClN2O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is 3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID1246314
Molecular FormulaC12H7ClN2O2S
Molecular Weight278.72 g/mol
Exact Mass277.99
IUPAC Name3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccon1)c1sc2ccccc2c1Cl
InChIInChI=1S/C12H7ClN2O2S/c13-10-7-3-1-2-4-8(7)18-11(10)12(16)14-9-5-6-17-15-9/h1-6H,(H,14,15,16)
InChIKeyRNAARTDCQXPEHJ-UHFFFAOYSA-N
XLogP3.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 4319124
3-chloro-6-methyl-N-(5-methyl-3-isoxazolyl)-1-benzothiophene-2-carboxamide
CID 887251
5-chloro-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 1246248
N-(Isoxazol-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
CID 1247043
3-chloro-6-fluoro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 2947486
N-3-isoxazolyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 2971043
N-3-isoxazolyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1225694
N-3-isoxazolyl-1-benzothiophene-3-carboxamide
CID 1247454
N-3-isoxazolyl-5-methyl-4-phenyl-3-thiophenecarboxamide
CID 2970361
3-chloro-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 790232
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 8851396
3-chloro-4-fluoro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 17218153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide (CID 1246314) is 3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccon1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is RNAARTDCQXPEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S/c13-10-7-3-1-2-4-8(7)18-11(10)12(16)14-9-5-6-17-15-9/h1-6H,(H,14,15,16).
What are the key properties of 3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 278.72 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1246314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).