2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid

C18H19N3O4S — CID 73442652

IUPAC2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCc1noc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C)c2C2CC2)n1
InChIInChI=1S/C18H19N3O4S/c1-8-13(10-6-7-10)14(16-19-9(2)21-25-16)17(26-8)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyWHGPXCCUBCVBSO-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.80
Rot. Bonds5

About 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 73442652) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID73442652
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCc1noc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C)c2C2CC2)n1
InChIInChI=1S/C18H19N3O4S/c1-8-13(10-6-7-10)14(16-19-9(2)21-25-16)17(26-8)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyWHGPXCCUBCVBSO-UHFFFAOYSA-N
XLogP3.80
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid 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 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid (CID 73442652) is 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid is Cc1noc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C)c2C2CC2)n1.
What is the InChIKey of 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is WHGPXCCUBCVBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-8-13(10-6-7-10)14(16-19-9(2)21-25-16)17(26-8)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyclopropyl-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 73442652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).