2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid

C16H18F2N2O4 — CID 90811618

IUPAC2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid
SMILESO=C1NC(Cc2cc(F)cc(F)c2)C(C2CCCCN2C(=O)O)O1
InChIInChI=1S/C16H18F2N2O4/c17-10-5-9(6-11(18)8-10)7-12-14(24-15(21)19-12)13-3-1-2-4-20(13)16(22)23/h5-6,8,12-14H,1-4,7H2,(H,19,21)(H,22,23)
InChIKeyGJBDFENILTUNFK-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.52
Rot. Bonds3

About 2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid

2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid (PubChem CID 90811618) has the molecular formula C16H18F2N2O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid
PubChem CID90811618
Molecular FormulaC16H18F2N2O4
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Name2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid
SMILESO=C1NC(Cc2cc(F)cc(F)c2)C(C2CCCCN2C(=O)O)O1
InChIInChI=1S/C16H18F2N2O4/c17-10-5-9(6-11(18)8-10)7-12-14(24-15(21)19-12)13-3-1-2-4-20(13)16(22)23/h5-6,8,12-14H,1-4,7H2,(H,19,21)(H,22,23)
InChIKeyGJBDFENILTUNFK-UHFFFAOYSA-N
XLogP2.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid (CID 90811618) is 2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid is O=C1NC(Cc2cc(F)cc(F)c2)C(C2CCCCN2C(=O)O)O1.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid?
The InChIKey is GJBDFENILTUNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4/c17-10-5-9(6-11(18)8-10)7-12-14(24-15(21)19-12)13-3-1-2-4-20(13)16(22)23/h5-6,8,12-14H,1-4,7H2,(H,19,21)(H,22,23).
What are the key properties of 2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid?
2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid has a molecular weight of 340.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90811618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).