(4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one

C21H26N2O3 — CID 70161692

IUPAC(4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
SMILESC=CCN1CC(C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C(C2CC2)C1
InChIInChI=1S/C21H26N2O3/c1-2-10-22-12-18(16-8-9-16)19(13-22)20(24)23-17(14-26-21(23)25)11-15-6-4-3-5-7-15/h2-7,16-19H,1,8-14H2/t17-,18?,19?/m0/s1
InChIKeyLAILPTCADIKVNG-VIQWUECVSA-N
MW354.45 g/mol
LogP2.72
Rot. Bonds6

About (4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 70161692) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
PubChem CID70161692
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
SMILESC=CCN1CC(C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C(C2CC2)C1
InChIInChI=1S/C21H26N2O3/c1-2-10-22-12-18(16-8-9-16)19(13-22)20(24)23-17(14-26-21(23)25)11-15-6-4-3-5-7-15/h2-7,16-19H,1,8-14H2/t17-,18?,19?/m0/s1
InChIKeyLAILPTCADIKVNG-VIQWUECVSA-N
XLogP2.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
CID 22624466
(4S)-4-benzyl-3-[(3R,4R)-1-prop-2-enyl-4-thiophen-3-ylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 70116801
(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 22871815
(4S)-4-benzyl-3-[(3R,4R)-1-benzyl-4-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 70273712
(4S)-4-benzyl-3-[(3S,4S)-1-benzyl-4-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 70203057
(4S)-4-benzyl-3-[(3S,4S)-1-benzyl-4-ethylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 22871826
(2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
CID 142892648
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 159175739
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 118160677
(4S)-4-benzyl-3-[(3S)-1-benzylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 142014992
(4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 10693824
(4R)-4-benzyl-3-[(3S,4R)-3-methyloxane-4-carbonyl]-1,3-oxazolidin-2-one
CID 68847598

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one (CID 70161692) is (4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one is C=CCN1CC(C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C(C2CC2)C1.
What is the InChIKey of (4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is LAILPTCADIKVNG-VIQWUECVSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-10-22-12-18(16-8-9-16)19(13-22)20(24)23-17(14-26-21(23)25)11-15-6-4-3-5-7-15/h2-7,16-19H,1,8-14H2/t17-,18?,19?/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70161692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).