3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one

C18H12N2O2 — CID 135442495

IUPAC3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESO=c1[nH]c(-c2ccccc2)cc2onc(-c3ccccc3)c12
InChIInChI=1S/C18H12N2O2/c21-18-16-15(11-14(19-18)12-7-3-1-4-8-12)22-20-17(16)13-9-5-2-6-10-13/h1-11H,(H,19,21)
InChIKeyXDWKYQRZDNGJNB-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.85
Rot. Bonds2

About 3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one

3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 135442495) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID135442495
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESO=c1[nH]c(-c2ccccc2)cc2onc(-c3ccccc3)c12
InChIInChI=1S/C18H12N2O2/c21-18-16-15(11-14(19-18)12-7-3-1-4-8-12)22-20-17(16)13-9-5-2-6-10-13/h1-11H,(H,19,21)
InChIKeyXDWKYQRZDNGJNB-UHFFFAOYSA-N
XLogP3.85
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 135442495) is 3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one is O=c1[nH]c(-c2ccccc2)cc2onc(-c3ccccc3)c12.
What is the InChIKey of 3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is XDWKYQRZDNGJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-18-16-15(11-14(19-18)12-7-3-1-4-8-12)22-20-17(16)13-9-5-2-6-10-13/h1-11H,(H,19,21).
What are the key properties of 3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one?
3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 288.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-5H-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 135442495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).