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

C15H18FNO4 — CID 139935208

IUPACmethyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate
SMILESCCC[C@@H]1OC(=O)N(Cc2ccccc2F)[C@H]1C(=O)OC
InChIInChI=1S/C15H18FNO4/c1-3-6-12-13(14(18)20-2)17(15(19)21-12)9-10-7-4-5-8-11(10)16/h4-5,7-8,12-13H,3,6,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyLPRLGNSAZWVAOK-QWHCGFSZSA-N
MW295.31 g/mol
LogP2.49
Rot. Bonds5

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

methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate (PubChem CID 139935208) 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-propyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate
PubChem CID139935208
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namemethyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate
SMILESCCC[C@@H]1OC(=O)N(Cc2ccccc2F)[C@H]1C(=O)OC
InChIInChI=1S/C15H18FNO4/c1-3-6-12-13(14(18)20-2)17(15(19)21-12)9-10-7-4-5-8-11(10)16/h4-5,7-8,12-13H,3,6,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyLPRLGNSAZWVAOK-QWHCGFSZSA-N
XLogP2.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate (CID 139935208) is methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate is CCC[C@@H]1OC(=O)N(Cc2ccccc2F)[C@H]1C(=O)OC.
What is the InChIKey of methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is LPRLGNSAZWVAOK-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-3-6-12-13(14(18)20-2)17(15(19)21-12)9-10-7-4-5-8-11(10)16/h4-5,7-8,12-13H,3,6,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate?
methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 2.49, 5 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-propyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 139935208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).