N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide

C9H7N5O2 — CID 79504220

IUPACN-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C9H7N5O2/c1-5-7(4-12-16-5)9(15)13-8-6(2-10)3-11-14-8/h3-4H,1H3,(H2,11,13,14,15)
InChIKeyLDWXXDKXHOHHMK-UHFFFAOYSA-N
MW217.19 g/mol
LogP0.83
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 79504220) has the molecular formula C9H7N5O2 and a molecular weight of 217.19 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID79504220
Molecular FormulaC9H7N5O2
Molecular Weight217.19 g/mol
Exact Mass217.06
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C9H7N5O2/c1-5-7(4-12-16-5)9(15)13-8-6(2-10)3-11-14-8/h3-4H,1H3,(H2,11,13,14,15)
InChIKeyLDWXXDKXHOHHMK-UHFFFAOYSA-N
XLogP0.83
TPSA107.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-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-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 79504220) is N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LDWXXDKXHOHHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2/c1-5-7(4-12-16-5)9(15)13-8-6(2-10)3-11-14-8/h3-4H,1H3,(H2,11,13,14,15).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 217.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 79504220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).