N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C17H18N4O2S — CID 86266302

IUPACN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)no1
InChIInChI=1S/C17H18N4O2S/c1-11-8-15(20-23-11)17(22)18-5-6-21-16(12-2-3-12)9-14(19-21)13-4-7-24-10-13/h4,7-10,12H,2-3,5-6H2,1H3,(H,18,22)
InChIKeyGQNCFRJOTFFRLP-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 86266302) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID86266302
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)no1
InChIInChI=1S/C17H18N4O2S/c1-11-8-15(20-23-11)17(22)18-5-6-21-16(12-2-3-12)9-14(19-21)13-4-7-24-10-13/h4,7-10,12H,2-3,5-6H2,1H3,(H,18,22)
InChIKeyGQNCFRJOTFFRLP-UHFFFAOYSA-N
XLogP3.22
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-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-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 86266302) is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)no1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GQNCFRJOTFFRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-8-15(20-23-11)17(22)18-5-6-21-16(12-2-3-12)9-14(19-21)13-4-7-24-10-13/h4,7-10,12H,2-3,5-6H2,1H3,(H,18,22).
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86266302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).