methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate

C20H24FNO5 — CID 135062847

IUPACmethyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CC1(F)C(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C
InChIInChI=1S/C20H24FNO5/c1-12(2)14-18(3,4)27-17(25)22(14)15(23)20(21)11-19(20,16(24)26-5)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3/t14-,19?,20?/m0/s1
InChIKeyLJWKPXMMQVCYTH-JAGHRAMZSA-N
MW377.41 g/mol
LogP2.99
Rot. Bonds4

About methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate

methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate (PubChem CID 135062847) has the molecular formula C20H24FNO5 and a molecular weight of 377.41 g/mol. Its IUPAC name is methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate
PubChem CID135062847
Molecular FormulaC20H24FNO5
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Namemethyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CC1(F)C(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C
InChIInChI=1S/C20H24FNO5/c1-12(2)14-18(3,4)27-17(25)22(14)15(23)20(21)11-19(20,16(24)26-5)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3/t14-,19?,20?/m0/s1
InChIKeyLJWKPXMMQVCYTH-JAGHRAMZSA-N
XLogP2.99
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate with MolForge

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Related Compounds

trans-diethyl (2S,3R)-2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-3-phenylcyclopropane-1,1-dicarboxylate
CID 134846219
diethyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-3-phenylcyclopropane-1,1-dicarboxylate
CID 135062877
benzyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate
CID 135063460
methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
CID 10938316
methyl (3R,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3,4-dimethyl-5-oxopentanoate
CID 134905839
(S)-tert-butyl 4-((S)-4-benzyl-2-oxooxazolidin-3-yl)-4-oxo-3-phenylbutanoate
CID 10597644
tert-butyl (3S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-4,4-dimethylpentanoate
CID 10715374
tert-butyl (R)-4-((R)-4-benzyl-2-oxooxazolidin-3-yl)-3-cyclopentyl-4-oxobutanoate
CID 140424665
(2S,4R)-di-tert-butyl 4-(4-fluoro-2-methylbenzyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 67009143
3-Tert-butyl-3-[(4-fluoro-2-methylphenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidine-1-carboxylic acid
CID 67009144
(2S,4R)-1-tert-butyl 2-ethyl 4-(4-fluorobenzyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 67009146
1-O-tert-butyl 2-O-ethyl 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 67009147

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate (CID 135062847) is methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate is COC(=O)C1(c2ccccc2)CC1(F)C(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C.
What is the InChIKey of methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate?
The InChIKey is LJWKPXMMQVCYTH-JAGHRAMZSA-N. The full InChI is InChI=1S/C20H24FNO5/c1-12(2)14-18(3,4)27-17(25)22(14)15(23)20(21)11-19(20,16(24)26-5)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3/t14-,19?,20?/m0/s1.
What are the key properties of methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate?
methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate has a molecular weight of 377.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 135062847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).