(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one

C14H18FNO2 — CID 58836526

IUPAC(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C[C@@H]1CN(c2cccc(F)c2)C(=O)O1
InChIInChI=1S/C14H18FNO2/c1-14(2,3)8-12-9-16(13(17)18-12)11-6-4-5-10(15)7-11/h4-7,12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyCHXBGJHFJIQHMC-GFCCVEGCSA-N
MW251.30 g/mol
LogP3.59
Rot. Bonds2

About (5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one

(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 58836526) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID58836526
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C[C@@H]1CN(c2cccc(F)c2)C(=O)O1
InChIInChI=1S/C14H18FNO2/c1-14(2,3)8-12-9-16(13(17)18-12)11-6-4-5-10(15)7-11/h4-7,12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyCHXBGJHFJIQHMC-GFCCVEGCSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 77164925
N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 110327642
2-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 58721924
[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 141073578
N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,4-dimethylbenzamide
CID 110327662
1-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylurea
CID 110327677
2-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327680
5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 175360935
5-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 110327729
N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 40926357
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440
5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one
CID 102443365

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one (CID 58836526) is (5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one is CC(C)(C)C[C@@H]1CN(c2cccc(F)c2)C(=O)O1.
What is the InChIKey of (5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is CHXBGJHFJIQHMC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2,3)8-12-9-16(13(17)18-12)11-6-4-5-10(15)7-11/h4-7,12H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one?
(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 251.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58836526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).