3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid

C10H12N4O3 — CID 165454716

IUPAC3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1onc(-c2cn(C)nn2)c1C(=O)O
InChIInChI=1S/C10H12N4O3/c1-5(2)9-7(10(15)16)8(12-17-9)6-4-14(3)13-11-6/h4-5H,1-3H3,(H,15,16)
InChIKeyZNYNYGNEQNJOEU-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.29
Rot. Bonds3

About 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid

3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 165454716) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID165454716
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1onc(-c2cn(C)nn2)c1C(=O)O
InChIInChI=1S/C10H12N4O3/c1-5(2)9-7(10(15)16)8(12-17-9)6-4-14(3)13-11-6/h4-5H,1-3H3,(H,15,16)
InChIKeyZNYNYGNEQNJOEU-UHFFFAOYSA-N
XLogP1.29
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-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 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid (CID 165454716) is 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid is CC(C)c1onc(-c2cn(C)nn2)c1C(=O)O.
What is the InChIKey of 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is ZNYNYGNEQNJOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5(2)9-7(10(15)16)8(12-17-9)6-4-14(3)13-11-6/h4-5H,1-3H3,(H,15,16).
What are the key properties of 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltriazol-4-yl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 165454716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).