(6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one

C23H25F2NO3 — CID 66857251

IUPAC(6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CC[C@]1(c2ccccc2)CCN([C@@H](CC)c2ccc(OC(F)F)cc2)C(=O)O1
InChIInChI=1S/C23H25F2NO3/c1-3-14-23(18-8-6-5-7-9-18)15-16-26(22(27)29-23)20(4-2)17-10-12-19(13-11-17)28-21(24)25/h3,5-13,20-21H,1,4,14-16H2,2H3/t20-,23+/m0/s1
InChIKeyFWAVLYLMDKJBIB-NZQKXSOJSA-N
MW401.45 g/mol
LogP6.05
Rot. Bonds8

About (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one

(6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one (PubChem CID 66857251) has the molecular formula C23H25F2NO3 and a molecular weight of 401.45 g/mol. Its IUPAC name is (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one
PubChem CID66857251
Molecular FormulaC23H25F2NO3
Molecular Weight401.45 g/mol
Exact Mass401.18
IUPAC Name(6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CC[C@]1(c2ccccc2)CCN([C@@H](CC)c2ccc(OC(F)F)cc2)C(=O)O1
InChIInChI=1S/C23H25F2NO3/c1-3-14-23(18-8-6-5-7-9-18)15-16-26(22(27)29-23)20(4-2)17-10-12-19(13-11-17)28-21(24)25/h3,5-13,20-21H,1,4,14-16H2,2H3/t20-,23+/m0/s1
InChIKeyFWAVLYLMDKJBIB-NZQKXSOJSA-N
XLogP6.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-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 (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
The IUPAC name of (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one (CID 66857251) is (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one is C=CC[C@]1(c2ccccc2)CCN([C@@H](CC)c2ccc(OC(F)F)cc2)C(=O)O1.
What is the InChIKey of (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
The InChIKey is FWAVLYLMDKJBIB-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H25F2NO3/c1-3-14-23(18-8-6-5-7-9-18)15-16-26(22(27)29-23)20(4-2)17-10-12-19(13-11-17)28-21(24)25/h3,5-13,20-21H,1,4,14-16H2,2H3/t20-,23+/m0/s1.
What are the key properties of (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
(6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one has a molecular weight of 401.45 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one is sourced from PubChem (CID 66857251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).