(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C14H16ClNO3 — CID 15349555

IUPAC(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c1-9(2)12-8-19-14(18)16(12)13(17)7-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyDBDOXNAODIRPSP-GFCCVEGCSA-N
MW281.74 g/mol
LogP2.89
Rot. Bonds3

About (4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 15349555) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is (4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID15349555
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c1-9(2)12-8-19-14(18)16(12)13(17)7-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyDBDOXNAODIRPSP-GFCCVEGCSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(4S)-3-[3-(4-chlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 122642087
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22298317
3-(2-cyclopentylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10082966
(4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22975837
2,2-dimethyl-4-oxo-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)butanoic acid
CID 57209681
5-bromo-1-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pentane-1,4-dione
CID 21468642
(4R)-3-[(3S,4S)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22871830
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 15349555) is (4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)Cc1ccccc1Cl.
What is the InChIKey of (4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DBDOXNAODIRPSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9(2)12-8-19-14(18)16(12)13(17)7-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 281.74 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15349555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).