6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C20H14N2O4 — CID 22015572

IUPAC6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccc3c(c2)OCO3)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H14N2O4/c1-22-14(13-7-8-15-16(9-13)25-11-24-15)10-17-18(20(22)23)19(21-26-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyOVMZTCWKQUHSEH-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.59
Rot. Bonds2

About 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22015572) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22015572
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccc3c(c2)OCO3)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H14N2O4/c1-22-14(13-7-8-15-16(9-13)25-11-24-15)10-17-18(20(22)23)19(21-26-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyOVMZTCWKQUHSEH-UHFFFAOYSA-N
XLogP3.59
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one 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 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22015572) is 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is Cn1c(-c2ccc3c(c2)OCO3)cc2onc(-c3ccccc3)c2c1=O.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is OVMZTCWKQUHSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-22-14(13-7-8-15-16(9-13)25-11-24-15)10-17-18(20(22)23)19(21-26-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 346.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22015572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).