3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine

C13H14N2O — CID 84647150

IUPAC3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESCc1ccc(-c2noc3c2CCNC3)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-4-10(5-3-9)13-11-6-7-14-8-12(11)16-15-13/h2-5,14H,6-8H2,1H3
InChIKeySMAQGSNHKCNOCM-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.30
Rot. Bonds1

About 3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine

3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (PubChem CID 84647150) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
PubChem CID84647150
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESCc1ccc(-c2noc3c2CCNC3)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-4-10(5-3-9)13-11-6-7-14-8-12(11)16-15-13/h2-5,14H,6-8H2,1H3
InChIKeySMAQGSNHKCNOCM-UHFFFAOYSA-N
XLogP2.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine 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-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The IUPAC name of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (CID 84647150) is 3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is Cc1ccc(-c2noc3c2CCNC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The InChIKey is SMAQGSNHKCNOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-2-4-10(5-3-9)13-11-6-7-14-8-12(11)16-15-13/h2-5,14H,6-8H2,1H3.
What are the key properties of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine has a molecular weight of 214.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 84647150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).