3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one

C14H17ClN2O2 — CID 115064321

IUPAC3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C2CCNC2)COC(=O)N1c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-14(10-6-7-16-8-10)9-19-13(18)17(14)12-5-3-2-4-11(12)15/h2-5,10,16H,6-9H2,1H3
InChIKeyLPQWNLWLGAABNV-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.66
Rot. Bonds2

About 3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one

3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one (PubChem CID 115064321) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
PubChem CID115064321
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C2CCNC2)COC(=O)N1c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-14(10-6-7-16-8-10)9-19-13(18)17(14)12-5-3-2-4-11(12)15/h2-5,10,16H,6-9H2,1H3
InChIKeyLPQWNLWLGAABNV-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2-methylphenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064316
3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064333
3-(3-methoxyphenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064312
3-[(2-methoxyphenyl)methyl]-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064378
3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
CID 56693031
3-[(4-fluorophenyl)methyl]-4-methyl-4-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115064284
4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
CID 115067949
4-(2-chlorophenyl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
CID 81488070
3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine
CID 116870860
N-(2-chlorophenyl)pyrrolidin-3-amine
CID 66545622
1-(3-chloro-2-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64962875
2-(2-chlorophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
CID 79965715

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one (CID 115064321) is 3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one is CC1(C2CCNC2)COC(=O)N1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is LPQWNLWLGAABNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-14(10-6-7-16-8-10)9-19-13(18)17(14)12-5-3-2-4-11(12)15/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).