2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid

C15H18FN3O5 — CID 67711484

IUPAC2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1(c1ccccc1F)N1CC(CO)OC1=O
InChIInChI=1S/C15H18FN3O5/c16-12-4-2-1-3-11(12)15(9-17-5-6-18(15)13(21)22)19-7-10(8-20)24-14(19)23/h1-4,10,17,20H,5-9H2,(H,21,22)
InChIKeyQGBSKYOTJVMDCB-UHFFFAOYSA-N
MW339.32 g/mol
LogP0.37
Rot. Bonds3

About 2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid

2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid (PubChem CID 67711484) has the molecular formula C15H18FN3O5 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid
PubChem CID67711484
Molecular FormulaC15H18FN3O5
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1(c1ccccc1F)N1CC(CO)OC1=O
InChIInChI=1S/C15H18FN3O5/c16-12-4-2-1-3-11(12)15(9-17-5-6-18(15)13(21)22)19-7-10(8-20)24-14(19)23/h1-4,10,17,20H,5-9H2,(H,21,22)
InChIKeyQGBSKYOTJVMDCB-UHFFFAOYSA-N
XLogP0.37
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179
(5R)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 162135714
(5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66776176
(2S,3S)-3-[(2S)-2-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-2-hydroxy-5-methylhexanoic acid
CID 69402739
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22509418
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[1-(2-fluorobenzoyl)-1,2,5-triazepan-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 70891568
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid
CID 68975625

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid (CID 67711484) is 2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid is O=C(O)N1CCNCC1(c1ccccc1F)N1CC(CO)OC1=O.
What is the InChIKey of 2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid?
The InChIKey is QGBSKYOTJVMDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O5/c16-12-4-2-1-3-11(12)15(9-17-5-6-18(15)13(21)22)19-7-10(8-20)24-14(19)23/h1-4,10,17,20H,5-9H2,(H,21,22).
What are the key properties of 2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid?
2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid has a molecular weight of 339.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 67711484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).