N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C12H12N2O2S — CID 1225694

IUPACN-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccon1)c1csc2c1CCCC2
InChIInChI=1S/C12H12N2O2S/c15-12(13-11-5-6-16-14-11)9-7-17-10-4-2-1-3-8(9)10/h5-7H,1-4H2,(H,13,14,15)
InChIKeyOQHBHRHNSIGOFY-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.87
Rot. Bonds2

About N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 1225694) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID1225694
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccon1)c1csc2c1CCCC2
InChIInChI=1S/C12H12N2O2S/c15-12(13-11-5-6-16-14-11)9-7-17-10-4-2-1-3-8(9)10/h5-7H,1-4H2,(H,13,14,15)
InChIKeyOQHBHRHNSIGOFY-UHFFFAOYSA-N
XLogP2.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-3-isoxazolyl-2-phenyl-2-(phenylthio)acetamide
CID 2970368
2-(ethylthio)-N-(5-methyl-3-isoxazolyl)benzamide
CID 970322
3-chloro-N-3-isoxazolyl-1-benzothiophene-2-carboxamide
CID 1246314
N-(Isoxazol-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
CID 1247043
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 1276746
2-[(2-methoxyethyl)thio]-N-(5-methyl-3-isoxazolyl)benzamide
CID 2218470
2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2529884
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2577595
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-5-methyl-3-thiophenecarboxamide
CID 1246798
N-3-isoxazolyl-2-(2-thienyl)acetamide
CID 1246102

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 1225694) is N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(Nc1ccon1)c1csc2c1CCCC2.
What is the InChIKey of N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is OQHBHRHNSIGOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(13-11-5-6-16-14-11)9-7-17-10-4-2-1-3-8(9)10/h5-7H,1-4H2,(H,13,14,15).
What are the key properties of N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1225694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).