N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide

C23H17N3O2S — CID 3232325

IUPACN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
SMILESN#Cc1c(NC(=O)c2ncoc2-c2ccc3ccccc3c2)sc2c1CCCC2
InChIInChI=1S/C23H17N3O2S/c24-12-18-17-7-3-4-8-19(17)29-23(18)26-22(27)20-21(28-13-25-20)16-10-9-14-5-1-2-6-15(14)11-16/h1-2,5-6,9-11,13H,3-4,7-8H2,(H,26,27)
InChIKeyGGOOPTGZHPCARO-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.56
Rot. Bonds3

About N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 3232325) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID3232325
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
SMILESN#Cc1c(NC(=O)c2ncoc2-c2ccc3ccccc3c2)sc2c1CCCC2
InChIInChI=1S/C23H17N3O2S/c24-12-18-17-7-3-4-8-19(17)29-23(18)26-22(27)20-21(28-13-25-20)16-10-9-14-5-1-2-6-15(14)11-16/h1-2,5-6,9-11,13H,3-4,7-8H2,(H,26,27)
InChIKeyGGOOPTGZHPCARO-UHFFFAOYSA-N
XLogP5.56
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)naphthalene-2-carboxamide
CID 962559
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427657
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)tetracene-1-carboxamide
CID 175597027
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide;hydrate
CID 16760525
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)naphthalene-1-carboxamide
CID 924830
N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-phenylbenzamide
CID 4955468
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 775351
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3501252
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-fluorobenzamide
CID 674789
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylquinoline-7-carboxamide
CID 5204453

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide (CID 3232325) is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide is N#Cc1c(NC(=O)c2ncoc2-c2ccc3ccccc3c2)sc2c1CCCC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is GGOOPTGZHPCARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c24-12-18-17-7-3-4-8-19(17)29-23(18)26-22(27)20-21(28-13-25-20)16-10-9-14-5-1-2-6-15(14)11-16/h1-2,5-6,9-11,13H,3-4,7-8H2,(H,26,27).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).