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

C24H24FN3O3 — CID 91320153

IUPAC6-(4-fluorophenyl)-3-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCC1(c2ccc(F)cc2)CCN(C(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
InChIKeyLHELAJDRZXVKOX-UHFFFAOYSA-N
MW421.47 g/mol
LogP5.56
Rot. Bonds6

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

6-(4-fluorophenyl)-3-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one (PubChem CID 91320153) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
PubChem CID91320153
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name6-(4-fluorophenyl)-3-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCC1(c2ccc(F)cc2)CCN(C(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
InChIKeyLHELAJDRZXVKOX-UHFFFAOYSA-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 6-(4-fluorophenyl)-3-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-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 6-(4-fluorophenyl)-3-[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 6-(4-fluorophenyl)-3-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one (CID 91320153) is 6-(4-fluorophenyl)-3-[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 6-(4-fluorophenyl)-3-[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 6-(4-fluorophenyl)-3-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one is C=CCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(-c3nnc(C)o3)cc2)C(=O)O1.
What is the InChIKey of 6-(4-fluorophenyl)-3-[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-UHFFFAOYSA-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.
What are the key properties of 6-(4-fluorophenyl)-3-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one?
6-(4-fluorophenyl)-3-[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 6-(4-fluorophenyl)-3-[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 91320153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).