(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one

C18H16ClNO3 — CID 11099554

IUPAC(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@@H](C(=O)c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C18H16ClNO3/c1-12(13-5-3-2-4-6-13)20-11-16(23-18(20)22)17(21)14-7-9-15(19)10-8-14/h2-10,12,16H,11H2,1H3/t12-,16+/m1/s1
InChIKeyFKKUMWARSQYQOF-WBMJQRKESA-N
MW329.78 g/mol
LogP4.10
Rot. Bonds4

About (5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one

(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (PubChem CID 11099554) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is (5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
PubChem CID11099554
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@@H](C(=O)c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C18H16ClNO3/c1-12(13-5-3-2-4-6-13)20-11-16(23-18(20)22)17(21)14-7-9-15(19)10-8-14/h2-10,12,16H,11H2,1H3/t12-,16+/m1/s1
InChIKeyFKKUMWARSQYQOF-WBMJQRKESA-N
XLogP4.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one
CID 11122628
3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one
CID 143755351
benzene;3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 143755585
(5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane
CID 158004525
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one
CID 143715156
5-(4-chlorobenzoyl)oxolan-2-one
CID 10263058
3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one
CID 58335409
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849421

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (CID 11099554) is (5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one is C[C@H](c1ccccc1)N1C[C@@H](C(=O)c2ccc(Cl)cc2)OC1=O.
What is the InChIKey of (5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The InChIKey is FKKUMWARSQYQOF-WBMJQRKESA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-12(13-5-3-2-4-6-13)20-11-16(23-18(20)22)17(21)14-7-9-15(19)10-8-14/h2-10,12,16H,11H2,1H3/t12-,16+/m1/s1.
What are the key properties of (5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one has a molecular weight of 329.78 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11099554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).