5-methyl-2,6-diphenyl-1,3-oxazin-4-one

C17H13NO2 — CID 13028435

IUPAC5-methyl-2,6-diphenyl-1,3-oxazin-4-one
SMILESCc1c(-c2ccccc2)oc(-c2ccccc2)nc1=O
InChIInChI=1S/C17H13NO2/c1-12-15(13-8-4-2-5-9-13)20-17(18-16(12)19)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyBDJMHWFAOVBQKJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.68
Rot. Bonds2

About 5-methyl-2,6-diphenyl-1,3-oxazin-4-one

5-methyl-2,6-diphenyl-1,3-oxazin-4-one (PubChem CID 13028435) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-methyl-2,6-diphenyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name5-methyl-2,6-diphenyl-1,3-oxazin-4-one
PubChem CID13028435
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name5-methyl-2,6-diphenyl-1,3-oxazin-4-one
SMILESCc1c(-c2ccccc2)oc(-c2ccccc2)nc1=O
InChIInChI=1S/C17H13NO2/c1-12-15(13-8-4-2-5-9-13)20-17(18-16(12)19)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyBDJMHWFAOVBQKJ-UHFFFAOYSA-N
XLogP3.68
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,6-diphenyl-1,3-oxazin-4-one?
The IUPAC name of 5-methyl-2,6-diphenyl-1,3-oxazin-4-one (CID 13028435) is 5-methyl-2,6-diphenyl-1,3-oxazin-4-one.
What is the SMILES notation for 5-methyl-2,6-diphenyl-1,3-oxazin-4-one?
The canonical SMILES for 5-methyl-2,6-diphenyl-1,3-oxazin-4-one is Cc1c(-c2ccccc2)oc(-c2ccccc2)nc1=O.
What is the InChIKey of 5-methyl-2,6-diphenyl-1,3-oxazin-4-one?
The InChIKey is BDJMHWFAOVBQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12-15(13-8-4-2-5-9-13)20-17(18-16(12)19)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 5-methyl-2,6-diphenyl-1,3-oxazin-4-one?
5-methyl-2,6-diphenyl-1,3-oxazin-4-one has a molecular weight of 263.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,6-diphenyl-1,3-oxazin-4-one is sourced from PubChem (CID 13028435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).