4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine

C23H24FN3O — CID 146274015

IUPAC4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine
SMILESCc1ccc(C(C)Nc2nccc3c2N(Cc2cccc(F)c2)CCO3)cc1
InChIInChI=1S/C23H24FN3O/c1-16-6-8-19(9-7-16)17(2)26-23-22-21(10-11-25-23)28-13-12-27(22)15-18-4-3-5-20(24)14-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,25,26)
InChIKeyOANISMLTPVWMLJ-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.10
Rot. Bonds5

About 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine

4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine (PubChem CID 146274015) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine
PubChem CID146274015
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine
SMILESCc1ccc(C(C)Nc2nccc3c2N(Cc2cccc(F)c2)CCO3)cc1
InChIInChI=1S/C23H24FN3O/c1-16-6-8-19(9-7-16)17(2)26-23-22-21(10-11-25-23)28-13-12-27(22)15-18-4-3-5-20(24)14-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,25,26)
InChIKeyOANISMLTPVWMLJ-UHFFFAOYSA-N
XLogP5.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine 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 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine (CID 146274015) is 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine is Cc1ccc(C(C)Nc2nccc3c2N(Cc2cccc(F)c2)CCO3)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine?
The InChIKey is OANISMLTPVWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-16-6-8-19(9-7-16)17(2)26-23-22-21(10-11-25-23)28-13-12-27(22)15-18-4-3-5-20(24)14-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,25,26).
What are the key properties of 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine?
4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine has a molecular weight of 377.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine is sourced from PubChem (CID 146274015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).