4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide

C22H23FN2O3 — CID 68726030

IUPAC4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide
SMILESC=CCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(C(N)=O)cc2)C(=O)O1
InChIInChI=1S/C22H23FN2O3/c1-3-12-22(18-8-10-19(23)11-9-18)13-14-25(21(27)28-22)15(2)16-4-6-17(7-5-16)20(24)26/h3-11,15H,1,12-14H2,2H3,(H2,24,26)
InChIKeyUMZCDOIEKIXFIV-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.30
Rot. Bonds6

About 4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide

4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide (PubChem CID 68726030) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide
PubChem CID68726030
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide
SMILESC=CCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(C(N)=O)cc2)C(=O)O1
InChIInChI=1S/C22H23FN2O3/c1-3-12-22(18-8-10-19(23)11-9-18)13-14-25(21(27)28-22)15(2)16-4-6-17(7-5-16)20(24)26/h3-11,15H,1,12-14H2,2H3,(H2,24,26)
InChIKeyUMZCDOIEKIXFIV-UHFFFAOYSA-N
XLogP4.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
CID 58109365
6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
CID 66601270
(6R)-6-(4-fluorophenyl)-6-prop-2-enyl-3-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-oxazinan-2-one
CID 66857713
(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;molecular hydrogen
CID 143930346
3-[(6S)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 66856649
(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one;N-[2-[4-[(1S)-1-[(6R)-6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]phenyl]-2-oxoethyl]acetamide
CID 159158249
6-(4-fluorophenyl)-6-prop-2-enyl-3-[1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-1,3-oxazinan-2-one
CID 91464100
(6S)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 53473233
3-[(6S)-3-[(1S)-1-(4-chlorophenyl)ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 66857616
(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one;(6R)-6-(4-fluorophenyl)-6-prop-2-enyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157461233
(6R)-3-[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one
CID 66857087
6-phenyl-6-prop-2-enyl-3-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 67019714

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide?
The IUPAC name of 4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide (CID 68726030) is 4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide?
The canonical SMILES for 4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide is C=CCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(C(N)=O)cc2)C(=O)O1.
What is the InChIKey of 4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide?
The InChIKey is UMZCDOIEKIXFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-3-12-22(18-8-10-19(23)11-9-18)13-14-25(21(27)28-22)15(2)16-4-6-17(7-5-16)20(24)26/h3-11,15H,1,12-14H2,2H3,(H2,24,26).
What are the key properties of 4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide?
4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide has a molecular weight of 382.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(4-fluorophenyl)-2-oxo-6-prop-2-enyl-1,3-oxazinan-3-yl]ethyl]benzamide is sourced from PubChem (CID 68726030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).