(2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone

C16H15FN2O2 — CID 84598502

IUPAC(2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCOc3nc(C)ccc32)c(F)c1
InChIInChI=1S/C16H15FN2O2/c1-10-3-5-12(13(17)9-10)16(20)19-7-8-21-15-14(19)6-4-11(2)18-15/h3-6,9H,7-8H2,1-2H3
InChIKeyPKNVDMYMRLXIAN-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.88
Rot. Bonds1

About (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone

(2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone (PubChem CID 84598502) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
PubChem CID84598502
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCOc3nc(C)ccc32)c(F)c1
InChIInChI=1S/C16H15FN2O2/c1-10-3-5-12(13(17)9-10)16(20)19-7-8-21-15-14(19)6-4-11(2)18-15/h3-6,9H,7-8H2,1-2H3
InChIKeyPKNVDMYMRLXIAN-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone 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 (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone (CID 84598502) is (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone is Cc1ccc(C(=O)N2CCOc3nc(C)ccc32)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
The InChIKey is PKNVDMYMRLXIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-3-5-12(13(17)9-10)16(20)19-7-8-21-15-14(19)6-4-11(2)18-15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone?
(2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone has a molecular weight of 286.31 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone is sourced from PubChem (CID 84598502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).