5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one

C12H16N2O2 — CID 117002393

IUPAC5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
SMILESNCCC1COC(=O)N(c2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c13-7-6-10-8-14(12(15)16-9-10)11-4-2-1-3-5-11/h1-5,10H,6-9,13H2
InChIKeyNRSOQHGSMXJOFK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.61
Rot. Bonds3

About 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one

5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one (PubChem CID 117002393) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
PubChem CID117002393
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
SMILESNCCC1COC(=O)N(c2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c13-7-6-10-8-14(12(15)16-9-10)11-4-2-1-3-5-11/h1-5,10H,6-9,13H2
InChIKeyNRSOQHGSMXJOFK-UHFFFAOYSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
CID 117002404
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
5-(2-aminoethyl)-3-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one
CID 117002431
3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117011179
5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one
CID 117002268
2-[3-(3-chlorophenyl)-2-oxo-1,3-oxazinan-5-yl]acetic acid
CID 117002175
5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
CID 117011181
3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011573
methyl 3-[5-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]benzoate
CID 117002275
3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one (CID 117002393) is 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one is NCCC1COC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one?
The InChIKey is NRSOQHGSMXJOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-7-6-10-8-14(12(15)16-9-10)11-4-2-1-3-5-11/h1-5,10H,6-9,13H2.
What are the key properties of 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one?
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 117002393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).