N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

C15H13N3O2S — CID 5307260

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESN#Cc1c(NC(=O)c2cc(C3CC3)on2)sc2c1CCC2
InChIInChI=1S/C15H13N3O2S/c16-7-10-9-2-1-3-13(9)21-15(10)17-14(19)11-6-12(20-18-11)8-4-5-8/h6,8H,1-5H2,(H,17,19)
InChIKeyKXXDDIMSHHMFOE-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.23
Rot. Bonds3

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 5307260) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID5307260
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESN#Cc1c(NC(=O)c2cc(C3CC3)on2)sc2c1CCC2
InChIInChI=1S/C15H13N3O2S/c16-7-10-9-2-1-3-13(9)21-15(10)17-14(19)11-6-12(20-18-11)8-4-5-8/h6,8H,1-5H2,(H,17,19)
InChIKeyKXXDDIMSHHMFOE-UHFFFAOYSA-N
XLogP3.23
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 5307260) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is N#Cc1c(NC(=O)c2cc(C3CC3)on2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is KXXDDIMSHHMFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-7-10-9-2-1-3-13(9)21-15(10)17-14(19)11-6-12(20-18-11)8-4-5-8/h6,8H,1-5H2,(H,17,19).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).