N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide

C12H8N2O2S — CID 11989434

IUPACN-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide
SMILESO=C(Nc1noc2ccccc12)c1cccs1
InChIInChI=1S/C12H8N2O2S/c15-12(10-6-3-7-17-10)13-11-8-4-1-2-5-9(8)16-14-11/h1-7H,(H,13,14,15)
InChIKeyKVCDGDPMHPKJLC-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.14
Rot. Bonds2

About N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide

N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide (PubChem CID 11989434) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide
PubChem CID11989434
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC NameN-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide
SMILESO=C(Nc1noc2ccccc12)c1cccs1
InChIInChI=1S/C12H8N2O2S/c15-12(10-6-3-7-17-10)13-11-8-4-1-2-5-9(8)16-14-11/h1-7H,(H,13,14,15)
InChIKeyKVCDGDPMHPKJLC-UHFFFAOYSA-N
XLogP3.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide
CID 91808065
N-[3-(furan-2-yl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
CID 53143213
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 4065338
N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide
CID 68724237
N-[3-(4-methylphenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4870395
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4975081
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
naphthalen-2-yl N-(1,2-benzoxazol-3-yl)carbamate
CID 67410130
N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1016193
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
1-(1,2-benzoxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]sulfanylurea
CID 87435948

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide (CID 11989434) is N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide is O=C(Nc1noc2ccccc12)c1cccs1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is KVCDGDPMHPKJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-12(10-6-3-7-17-10)13-11-8-4-1-2-5-9(8)16-14-11/h1-7H,(H,13,14,15).
What are the key properties of N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide?
N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 244.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 11989434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).