(2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate

C19H20NO5- — CID 142892648

IUPAC(2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
SMILESC=CC[C@H](C(=O)[O-])[C@H]1CC1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H21NO5/c1-2-6-14(18(22)23)15-10-16(15)17(21)20-13(11-25-19(20)24)9-12-7-4-3-5-8-12/h2-5,7-8,13-16H,1,6,9-11H2,(H,22,23)/p-1/t13-,14+,15-,16?/m1/s1
InChIKeyMROJUQPQBAOZLN-IUOOZAAYSA-M
MW342.37 g/mol
LogP1.15
Rot. Bonds7

About (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate

(2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate (PubChem CID 142892648) has the molecular formula C19H20NO5- and a molecular weight of 342.37 g/mol. Its IUPAC name is (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate.

Molecular Properties

Compound Name(2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
PubChem CID142892648
Molecular FormulaC19H20NO5-
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name(2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
SMILESC=CC[C@H](C(=O)[O-])[C@H]1CC1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H21NO5/c1-2-6-14(18(22)23)15-10-16(15)17(21)20-13(11-25-19(20)24)9-12-7-4-3-5-8-12/h2-5,7-8,13-16H,1,6,9-11H2,(H,22,23)/p-1/t13-,14+,15-,16?/m1/s1
InChIKeyMROJUQPQBAOZLN-IUOOZAAYSA-M
XLogP1.15
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
CID 58913347
(4S)-4-benzyl-3-[(2S)-2-bromopent-4-enoyl]-1,3-oxazolidin-2-one
CID 14604020
(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
4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
CID 22624466
(4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
CID 70161692
(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 160537927
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4R)-4-benzyl-3-[(2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 67113562
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(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-[(2R,3S)-3-hydroxy-2-prop-2-enyloctanoyl]-1,3-oxazolidin-2-one
CID 11175810

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate?
The IUPAC name of (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate (CID 142892648) is (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate.
What is the SMILES notation for (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate?
The canonical SMILES for (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate is C=CC[C@H](C(=O)[O-])[C@H]1CC1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate?
The InChIKey is MROJUQPQBAOZLN-IUOOZAAYSA-M. The full InChI is InChI=1S/C19H21NO5/c1-2-6-14(18(22)23)15-10-16(15)17(21)20-13(11-25-19(20)24)9-12-7-4-3-5-8-12/h2-5,7-8,13-16H,1,6,9-11H2,(H,22,23)/p-1/t13-,14+,15-,16?/m1/s1.
What are the key properties of (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate?
(2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate has a molecular weight of 342.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate is sourced from PubChem (CID 142892648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).