[4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate

C13H19FN2O5 — CID 134208502

IUPAC[4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate
SMILESCNC(=O)OC1CCC(C(F)C(=O)N2CCOC2=O)CC1
InChIInChI=1S/C13H19FN2O5/c1-15-12(18)21-9-4-2-8(3-5-9)10(14)11(17)16-6-7-20-13(16)19/h8-10H,2-7H2,1H3,(H,15,18)
InChIKeyVUBDPWOVAUDRER-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.22
Rot. Bonds3

About [4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate

[4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate (PubChem CID 134208502) has the molecular formula C13H19FN2O5 and a molecular weight of 302.30 g/mol. Its IUPAC name is [4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate
PubChem CID134208502
Molecular FormulaC13H19FN2O5
Molecular Weight302.30 g/mol
Exact Mass302.13
IUPAC Name[4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate
SMILESCNC(=O)OC1CCC(C(F)C(=O)N2CCOC2=O)CC1
InChIInChI=1S/C13H19FN2O5/c1-15-12(18)21-9-4-2-8(3-5-9)10(14)11(17)16-6-7-20-13(16)19/h8-10H,2-7H2,1H3,(H,15,18)
InChIKeyVUBDPWOVAUDRER-UHFFFAOYSA-N
XLogP1.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate?
The IUPAC name of [4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate (CID 134208502) is [4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate.
What is the SMILES notation for [4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate?
The canonical SMILES for [4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate is CNC(=O)OC1CCC(C(F)C(=O)N2CCOC2=O)CC1.
What is the InChIKey of [4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate?
The InChIKey is VUBDPWOVAUDRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O5/c1-15-12(18)21-9-4-2-8(3-5-9)10(14)11(17)16-6-7-20-13(16)19/h8-10H,2-7H2,1H3,(H,15,18).
What are the key properties of [4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate?
[4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate has a molecular weight of 302.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate is sourced from PubChem (CID 134208502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).