[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate

C12H12FNO4 — CID 164632430

IUPAC[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OC[C@H]2COC(=O)N2)c(F)c1
InChIInChI=1S/C12H12FNO4/c1-7-2-3-9(10(13)4-7)11(15)17-5-8-6-18-12(16)14-8/h2-4,8H,5-6H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyMVQBOPUKJRGUTM-QMMMGPOBSA-N
MW253.23 g/mol
LogP1.40
Rot. Bonds3

About [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate

[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate (PubChem CID 164632430) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate.

Molecular Properties

Compound Name[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate
PubChem CID164632430
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OC[C@H]2COC(=O)N2)c(F)c1
InChIInChI=1S/C12H12FNO4/c1-7-2-3-9(10(13)4-7)11(15)17-5-8-6-18-12(16)14-8/h2-4,8H,5-6H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyMVQBOPUKJRGUTM-QMMMGPOBSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentylmethyl 2-fluoro-5-methylbenzoate
CID 62958889
2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl 2-fluoro-4-methylbenzoate
CID 75497271
(4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane
CID 157224934
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
(1-ethyl-2-oxo-1,3-diazinan-5-yl) 2-fluoro-4-methylbenzoate
CID 167844325
(5-oxopyrrolidin-2-yl)methyl 2-methyl-5-methylsulfanylbenzoate
CID 78844119
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one
CID 114978262
cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
(3,4,5-trimethylphenyl) 2-fluoro-4-methylbenzoate
CID 20683321

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate?
The IUPAC name of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate (CID 164632430) is [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate.
What is the SMILES notation for [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate?
The canonical SMILES for [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate is Cc1ccc(C(=O)OC[C@H]2COC(=O)N2)c(F)c1.
What is the InChIKey of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate?
The InChIKey is MVQBOPUKJRGUTM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12FNO4/c1-7-2-3-9(10(13)4-7)11(15)17-5-8-6-18-12(16)14-8/h2-4,8H,5-6H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate?
[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate has a molecular weight of 253.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate is sourced from PubChem (CID 164632430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).