(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one

C24H24FN3O3 — CID 58109632

IUPAC(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(-c3nnc(C)o3)cc2)C(=O)O1
InChIInChI=1S/C24H24FN3O3/c1-4-13-24(20-9-11-21(25)12-10-20)14-15-28(23(29)31-24)16(2)18-5-7-19(8-6-18)22-27-26-17(3)30-22/h4-12,16H,1,13-15H2,2-3H3/t16-,24+/m0/s1
InChIKeyLHELAJDRZXVKOX-UPCLLVRISA-N
MW421.47 g/mol
LogP5.56
Rot. Bonds6

About (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one

(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one (PubChem CID 58109632) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
PubChem CID58109632
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(-c3nnc(C)o3)cc2)C(=O)O1
InChIInChI=1S/C24H24FN3O3/c1-4-13-24(20-9-11-21(25)12-10-20)14-15-28(23(29)31-24)16(2)18-5-7-19(8-6-18)22-27-26-17(3)30-22/h4-12,16H,1,13-15H2,2-3H3/t16-,24+/m0/s1
InChIKeyLHELAJDRZXVKOX-UPCLLVRISA-N
XLogP5.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one (CID 58109632) is (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one is C=CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(-c3nnc(C)o3)cc2)C(=O)O1.
What is the InChIKey of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one?
The InChIKey is LHELAJDRZXVKOX-UPCLLVRISA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-4-13-24(20-9-11-21(25)12-10-20)14-15-28(23(29)31-24)16(2)18-5-7-19(8-6-18)22-27-26-17(3)30-22/h4-12,16H,1,13-15H2,2-3H3/t16-,24+/m0/s1.
What are the key properties of (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one?
(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one has a molecular weight of 421.47 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one is sourced from PubChem (CID 58109632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).