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

C18H13N3O2 — CID 22015566

IUPAC5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccncc2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C18H13N3O2/c1-21-14(12-7-9-19-10-8-12)11-15-16(18(21)22)17(20-23-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyLJFFXXBCMTXSHN-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.26
Rot. Bonds2

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

5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22015566) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22015566
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccncc2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C18H13N3O2/c1-21-14(12-7-9-19-10-8-12)11-15-16(18(21)22)17(20-23-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyLJFFXXBCMTXSHN-UHFFFAOYSA-N
XLogP3.26
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-phenyl-6-pyridin-4-yl-[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 5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22015566) is 5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one is Cn1c(-c2ccncc2)cc2onc(-c3ccccc3)c2c1=O.
What is the InChIKey of 5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is LJFFXXBCMTXSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-21-14(12-7-9-19-10-8-12)11-15-16(18(21)22)17(20-23-15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 303.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22015566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).