(4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C13H15ClFNO2 — CID 72874240

IUPAC(4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFNO2/c1-8(2)12-7-18-13(17)16(12)6-9-10(14)4-3-5-11(9)15/h3-5,8,12H,6-7H2,1-2H3/t12-/m1/s1
InChIKeyZSYACFPAGGNNGU-GFCCVEGCSA-N
MW271.72 g/mol
LogP3.46
Rot. Bonds3

About (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 72874240) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID72874240
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name(4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFNO2/c1-8(2)12-7-18-13(17)16(12)6-9-10(14)4-3-5-11(9)15/h3-5,8,12H,6-7H2,1-2H3/t12-/m1/s1
InChIKeyZSYACFPAGGNNGU-GFCCVEGCSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243
(3S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 165424181
1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881774
6-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperazine-2,5-dione
CID 64881245
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56902461
(2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine
CID 757782
(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
CID 90414373
1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464
1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
CID 82117290
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199924
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide
CID 95725923
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 72874240) is (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1Cc1c(F)cccc1Cl.
What is the InChIKey of (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZSYACFPAGGNNGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-8(2)12-7-18-13(17)16(12)6-9-10(14)4-3-5-11(9)15/h3-5,8,12H,6-7H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 271.72 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72874240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).