3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid

C18H15N3O3 — CID 70313117

IUPAC3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1onc(C2C=CC=CC2)c1-c1ncc2ccc(C(=O)O)cn12
InChIInChI=1S/C18H15N3O3/c1-11-15(16(20-24-11)12-5-3-2-4-6-12)17-19-9-14-8-7-13(18(22)23)10-21(14)17/h2-5,7-10,12H,6H2,1H3,(H,22,23)
InChIKeyJCUYNPWVLYNTIC-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.60
Rot. Bonds3

About 3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid

3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 70313117) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID70313117
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1onc(C2C=CC=CC2)c1-c1ncc2ccc(C(=O)O)cn12
InChIInChI=1S/C18H15N3O3/c1-11-15(16(20-24-11)12-5-3-2-4-6-12)17-19-9-14-8-7-13(18(22)23)10-21(14)17/h2-5,7-10,12H,6H2,1H3,(H,22,23)
InChIKeyJCUYNPWVLYNTIC-UHFFFAOYSA-N
XLogP3.60
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-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-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid (CID 70313117) is 3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid is Cc1onc(C2C=CC=CC2)c1-c1ncc2ccc(C(=O)O)cn12.
What is the InChIKey of 3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is JCUYNPWVLYNTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-11-15(16(20-24-11)12-5-3-2-4-6-12)17-19-9-14-8-7-13(18(22)23)10-21(14)17/h2-5,7-10,12H,6H2,1H3,(H,22,23).
What are the key properties of 3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid?
3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 321.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexa-2,4-dien-1-yl-5-methyl-1,2-oxazol-4-yl)imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 70313117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).