2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one

C17H14N2O2 — CID 13299099

IUPAC2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one
SMILESCN(c1ccccc1)c1nc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C17H14N2O2/c1-19(14-10-6-3-7-11-14)17-18-16(20)12-15(21-17)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyFAYJZJMGMSPFMQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.47
Rot. Bonds3

About 2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one

2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one (PubChem CID 13299099) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one
PubChem CID13299099
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one
SMILESCN(c1ccccc1)c1nc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C17H14N2O2/c1-19(14-10-6-3-7-11-14)17-18-16(20)12-15(21-17)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyFAYJZJMGMSPFMQ-UHFFFAOYSA-N
XLogP3.47
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one?
The IUPAC name of 2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one (CID 13299099) is 2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one.
What is the SMILES notation for 2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one?
The canonical SMILES for 2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one is CN(c1ccccc1)c1nc(=O)cc(-c2ccccc2)o1.
What is the InChIKey of 2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one?
The InChIKey is FAYJZJMGMSPFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-19(14-10-6-3-7-11-14)17-18-16(20)12-15(21-17)13-8-4-2-5-9-13/h2-12H,1H3.
What are the key properties of 2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one?
2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one has a molecular weight of 278.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one is sourced from PubChem (CID 13299099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).