N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

C15H15N3O2S — CID 5307447

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc(C3CC3)on2)c1C#N
InChIInChI=1S/C15H15N3O2S/c1-3-10-8(2)21-15(11(10)7-16)17-14(19)12-6-13(20-18-12)9-4-5-9/h6,9H,3-5H2,1-2H3,(H,17,19)
InChIKeyTZNWDLLWEJLMRI-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.61
Rot. Bonds4

About N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 5307447) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID5307447
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc(C3CC3)on2)c1C#N
InChIInChI=1S/C15H15N3O2S/c1-3-10-8(2)21-15(11(10)7-16)17-14(19)12-6-13(20-18-12)9-4-5-9/h6,9H,3-5H2,1-2H3,(H,17,19)
InChIKeyTZNWDLLWEJLMRI-UHFFFAOYSA-N
XLogP3.61
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4-ethyl-5-methylthiophen-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-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 5307447) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is CCc1c(C)sc(NC(=O)c2cc(C3CC3)on2)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is TZNWDLLWEJLMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-3-10-8(2)21-15(11(10)7-16)17-14(19)12-6-13(20-18-12)9-4-5-9/h6,9H,3-5H2,1-2H3,(H,17,19).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).