N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide

C16H17N5O2 — CID 162642965

IUPACN-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCCc1nc(-c2ccc(CNC(=O)c3ccnn3C)cc2)no1
InChIInChI=1S/C16H17N5O2/c1-3-14-19-15(20-23-14)12-6-4-11(5-7-12)10-17-16(22)13-8-9-18-21(13)2/h4-9H,3,10H2,1-2H3,(H,17,22)
InChIKeyOSPLFORFKNOFOR-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.96
Rot. Bonds5

About N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide

N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162642965) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
PubChem CID162642965
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCCc1nc(-c2ccc(CNC(=O)c3ccnn3C)cc2)no1
InChIInChI=1S/C16H17N5O2/c1-3-14-19-15(20-23-14)12-6-4-11(5-7-12)10-17-16(22)13-8-9-18-21(13)2/h4-9H,3,10H2,1-2H3,(H,17,22)
InChIKeyOSPLFORFKNOFOR-UHFFFAOYSA-N
XLogP1.96
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-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-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide (CID 162642965) is N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide is CCc1nc(-c2ccc(CNC(=O)c3ccnn3C)cc2)no1.
What is the InChIKey of N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is OSPLFORFKNOFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-14-19-15(20-23-14)12-6-4-11(5-7-12)10-17-16(22)13-8-9-18-21(13)2/h4-9H,3,10H2,1-2H3,(H,17,22).
What are the key properties of N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide?
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162642965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).