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

C11H10ClNO3 — CID 102525452

IUPAC3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(Cl)cc1)N1CCOC1=O
InChIInChI=1S/C11H10ClNO3/c12-9-3-1-8(2-4-9)7-10(14)13-5-6-16-11(13)15/h1-4H,5-7H2
InChIKeyKIADHZLQJPAATO-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.86
Rot. Bonds2

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

3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 102525452) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID102525452
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(Cl)cc1)N1CCOC1=O
InChIInChI=1S/C11H10ClNO3/c12-9-3-1-8(2-4-9)7-10(14)13-5-6-16-11(13)15/h1-4H,5-7H2
InChIKeyKIADHZLQJPAATO-UHFFFAOYSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 11242185
3-[3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 72765876
3-[(3S)-3-(4-chloro-N-methylanilino)butanoyl]-1,3-oxazolidin-2-one
CID 131853013
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)ethanone
CID 110639441
2-(4-chlorophenyl)-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]acetamide
CID 110719399
1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione
CID 121006003
3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane
CID 144585780
3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 175209647
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110639444
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686501
1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one
CID 112536046
2-(4-chlorophenyl)acetate
CID 5460378

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one (CID 102525452) is 3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one is O=C(Cc1ccc(Cl)cc1)N1CCOC1=O.
What is the InChIKey of 3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is KIADHZLQJPAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-9-3-1-8(2-4-9)7-10(14)13-5-6-16-11(13)15/h1-4H,5-7H2.
What are the key properties of 3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one?
3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 239.66 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102525452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).