3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one

C14H18N2O2 — CID 115064356

IUPAC3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1OCC(C2CCNC2)N1Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14-16(9-11-4-2-1-3-5-11)13(10-18-14)12-6-7-15-8-12/h1-5,12-13,15H,6-10H2
InChIKeyGRVBXPOURXRESC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.62
Rot. Bonds3

About 3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one

3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one (PubChem CID 115064356) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
PubChem CID115064356
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1OCC(C2CCNC2)N1Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14-16(9-11-4-2-1-3-5-11)13(10-18-14)12-6-7-15-8-12/h1-5,12-13,15H,6-10H2
InChIKeyGRVBXPOURXRESC-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride
CID 170910040
1-benzyl-4a,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one
CID 151179103
3-ethyl-4-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064155
3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064330
(3aR,7R)-3-benzyl-7-iodo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
CID 102179985
3-(3-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064304
1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007169
(3aR,7aS)-3-benzyl-3a,4,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 15530655
4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 115064326
1-benzyl-2-piperidin-3-ylpiperidine
CID 82380311
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
1-[(3-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007168

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one (CID 115064356) is 3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one is O=C1OCC(C2CCNC2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is GRVBXPOURXRESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14-16(9-11-4-2-1-3-5-11)13(10-18-14)12-6-7-15-8-12/h1-5,12-13,15H,6-10H2.
What are the key properties of 3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).