N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C15H12N2O3S — CID 856809

IUPACN-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H12N2O3S/c18-14(13-6-8-2-1-3-12(8)21-13)16-9-4-5-10-11(7-9)20-15(19)17-10/h4-7H,1-3H2,(H,16,18)(H,17,19)
InChIKeyHKDJTAJTLMZQRR-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.92
Rot. Bonds2

About N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 856809) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID856809
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H12N2O3S/c18-14(13-6-8-2-1-3-12(8)21-13)16-9-4-5-10-11(7-9)20-15(19)17-10/h4-7H,1-3H2,(H,16,18)(H,17,19)
InChIKeyHKDJTAJTLMZQRR-UHFFFAOYSA-N
XLogP2.92
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245498
N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2582289
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9145336
N-(4-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9153937
N-[4-(hydroxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 64792801
N-[3-(thiophene-2-carbonylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 31520701
N-[4-(2-chloroethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114299179
N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 8780534
N-[4-(2-methylpropanoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 26286826
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 37438512
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
N-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 1245255

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 856809) is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(Nc1ccc2[nH]c(=O)oc2c1)c1cc2c(s1)CCC2.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is HKDJTAJTLMZQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-14(13-6-8-2-1-3-12(8)21-13)16-9-4-5-10-11(7-9)20-15(19)17-10/h4-7H,1-3H2,(H,16,18)(H,17,19).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 856809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).