2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid

C9H8N2O3 — CID 82403023

IUPAC2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid
SMILESCc1onc2c(CC(=O)O)nccc12
InChIInChI=1S/C9H8N2O3/c1-5-6-2-3-10-7(4-8(12)13)9(6)11-14-5/h2-3H,4H2,1H3,(H,12,13)
InChIKeyKISQZBLPWGCKNJ-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.16
Rot. Bonds2

About 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid

2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid (PubChem CID 82403023) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid
PubChem CID82403023
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid
SMILESCc1onc2c(CC(=O)O)nccc12
InChIInChI=1S/C9H8N2O3/c1-5-6-2-3-10-7(4-8(12)13)9(6)11-14-5/h2-3H,4H2,1H3,(H,12,13)
InChIKeyKISQZBLPWGCKNJ-UHFFFAOYSA-N
XLogP1.16
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic 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 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid (CID 82403023) is 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid is Cc1onc2c(CC(=O)O)nccc12.
What is the InChIKey of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid?
The InChIKey is KISQZBLPWGCKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5-6-2-3-10-7(4-8(12)13)9(6)11-14-5/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid?
2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid has a molecular weight of 192.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid is sourced from PubChem (CID 82403023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).