3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C16H21FN2O2 — CID 71988855

IUPAC3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCC1CC(c2cccc(F)c2)N(CCN2CCOC2=O)C1
InChIInChI=1S/C16H21FN2O2/c1-12-9-15(13-3-2-4-14(17)10-13)19(11-12)6-5-18-7-8-21-16(18)20/h2-4,10,12,15H,5-9,11H2,1H3
InChIKeyJWIACOQJQILTOG-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.66
Rot. Bonds4

About 3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 71988855) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID71988855
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCC1CC(c2cccc(F)c2)N(CCN2CCOC2=O)C1
InChIInChI=1S/C16H21FN2O2/c1-12-9-15(13-3-2-4-14(17)10-13)19(11-12)6-5-18-7-8-21-16(18)20/h2-4,10,12,15H,5-9,11H2,1H3
InChIKeyJWIACOQJQILTOG-UHFFFAOYSA-N
XLogP2.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 71988855) is 3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one is CC1CC(c2cccc(F)c2)N(CCN2CCOC2=O)C1.
What is the InChIKey of 3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is JWIACOQJQILTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-12-9-15(13-3-2-4-14(17)10-13)19(11-12)6-5-18-7-8-21-16(18)20/h2-4,10,12,15H,5-9,11H2,1H3.
What are the key properties of 3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 292.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71988855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).