3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C19H26N2O3 — CID 22912432

IUPAC3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(=O)C1CN(Cc2ccccc2)CC1C
InChIInChI=1S/C19H26N2O3/c1-13(2)17-12-24-19(23)21(17)18(22)16-11-20(9-14(16)3)10-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3
InChIKeyLIXALZKTSAADBC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.76
Rot. Bonds4

About 3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one

3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 22912432) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID22912432
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(=O)C1CN(Cc2ccccc2)CC1C
InChIInChI=1S/C19H26N2O3/c1-13(2)17-12-24-19(23)21(17)18(22)16-11-20(9-14(16)3)10-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3
InChIKeyLIXALZKTSAADBC-UHFFFAOYSA-N
XLogP2.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-[(3S,4S)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22871830
(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 22871815
(4S)-3-[(3S,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidine-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139780883
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
(4S)-4-benzyl-3-[(3S,4S)-1-benzyl-4-ethylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 22871826
(4S)-4-benzyl-3-[(3S,4S)-1-benzyl-4-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 70203057
(4S)-4-benzyl-3-[(3R,4R)-1-benzyl-4-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 70273712
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
(3S,4R)-1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 67998457
(4R)-3-[(3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 153407374

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 22912432) is 3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1C(=O)C1CN(Cc2ccccc2)CC1C.
What is the InChIKey of 3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LIXALZKTSAADBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(2)17-12-24-19(23)21(17)18(22)16-11-20(9-14(16)3)10-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3.
What are the key properties of 3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22912432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).