methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate

C15H18FNO4 — CID 139935201

IUPACmethyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1[C@H](C(C)C)OC(=O)N1Cc1ccccc1F
InChIInChI=1S/C15H18FNO4/c1-9(2)13-12(14(18)20-3)17(15(19)21-13)8-10-6-4-5-7-11(10)16/h4-7,9,12-13H,8H2,1-3H3/t12-,13+/m1/s1
InChIKeyPOUITSHTYBPVCN-OLZOCXBDSA-N
MW295.31 g/mol
LogP2.34
Rot. Bonds4

About methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate

methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate (PubChem CID 139935201) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
PubChem CID139935201
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namemethyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1[C@H](C(C)C)OC(=O)N1Cc1ccccc1F
InChIInChI=1S/C15H18FNO4/c1-9(2)13-12(14(18)20-3)17(15(19)21-13)8-10-6-4-5-7-11(10)16/h4-7,9,12-13H,8H2,1-3H3/t12-,13+/m1/s1
InChIKeyPOUITSHTYBPVCN-OLZOCXBDSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, methyl ester
CID 3042457
Methyl (2S,4S)-1-benzyl-4-fluoropyrrolidine-2-carboxylate
CID 118115667
methyl (2S,4R)-1-benzyl-4-fluoro-pyrrolidine-2-carboxylate
CID 154633324
(4-Fluorobenzylcarbamoyl)-1-methylpyrrolidine-2-carboxylate
CID 129672048
Methyl (s)-1-(2-fluorobenzyl)pyrrolidine-2-carboxylate
CID 176420257
Ethyl 3-benzyl-1,3-oxazolidine-4-carboxylate
CID 102339698
Methyl 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 12726694
(+/-)-1-[(3-Fluorophenyl)methyl]-5-methoxycarbonyl-2-pyrrolidinone
CID 13885244
Diethyl 1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-ylpyrrolidine-2,2-dicarboxylate
CID 19822492
2-[Carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid
CID 22144011
methyl (2R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 42127457
ethyl (2S,3R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-ylpyrrolidine-2-carboxylate
CID 57026961

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate (CID 139935201) is methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate is COC(=O)[C@H]1[C@H](C(C)C)OC(=O)N1Cc1ccccc1F.
What is the InChIKey of methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The InChIKey is POUITSHTYBPVCN-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-9(2)13-12(14(18)20-3)17(15(19)21-13)8-10-6-4-5-7-11(10)16/h4-7,9,12-13H,8H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 139935201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).