3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one

C15H20ClNO3 — CID 143755351

IUPAC3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one
SMILESCC(O)CC1CCN(C(C)c2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C15H20ClNO3/c1-10(18)9-14-7-8-17(15(19)20-14)11(2)12-3-5-13(16)6-4-12/h3-6,10-11,14,18H,7-9H2,1-2H3
InChIKeyBWCBDBXBQRTKCD-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.38
Rot. Bonds4

About 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one

3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one (PubChem CID 143755351) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one
PubChem CID143755351
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one
SMILESCC(O)CC1CCN(C(C)c2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C15H20ClNO3/c1-10(18)9-14-7-8-17(15(19)20-14)11(2)12-3-5-13(16)6-4-12/h3-6,10-11,14,18H,7-9H2,1-2H3
InChIKeyBWCBDBXBQRTKCD-UHFFFAOYSA-N
XLogP3.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one (CID 143755351) is 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one is CC(O)CC1CCN(C(C)c2ccc(Cl)cc2)C(=O)O1.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one?
The InChIKey is BWCBDBXBQRTKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(18)9-14-7-8-17(15(19)20-14)11(2)12-3-5-13(16)6-4-12/h3-6,10-11,14,18H,7-9H2,1-2H3.
What are the key properties of 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one?
3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one has a molecular weight of 297.78 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 143755351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).