(4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one

C25H29NO5 — CID 46944438

IUPAC(4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)CCOCc1ccccc1
InChIInChI=1S/C25H29NO5/c1-2-9-22(23(27)14-15-30-17-20-12-7-4-8-13-20)24(28)26-21(18-31-25(26)29)16-19-10-5-3-6-11-19/h2-8,10-13,21-23,27H,1,9,14-18H2/t21-,22-,23+/m1/s1
InChIKeyNOOFWDPRDZIIBN-ZLNRFVROSA-N
MW423.51 g/mol
LogP3.74
Rot. Bonds11

About (4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 46944438) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID46944438
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name(4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)CCOCc1ccccc1
InChIInChI=1S/C25H29NO5/c1-2-9-22(23(27)14-15-30-17-20-12-7-4-8-13-20)24(28)26-21(18-31-25(26)29)16-19-10-5-3-6-11-19/h2-8,10-13,21-23,27H,1,9,14-18H2/t21-,22-,23+/m1/s1
InChIKeyNOOFWDPRDZIIBN-ZLNRFVROSA-N
XLogP3.74
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
CID 44456651
tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
CID 44456866
(4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10269700
Lansimide 3
CID 85584195
(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
(3S,4R,5S)-3-hydroxy-5-[(R)-methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 127037987
(3S,4R,5S)-3-hydroxy-5-[(S)-methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 127040411
(3S,4S,5R)-3-hydroxy-5-[(R)-methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 127040412
(2S,4S)-4-(benzyloxy)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylic acid
CID 89677468
(2S,4R)-4-(benzyloxy)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylic acid
CID 89677779
(S)-3-((R)-5-(4-Fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
CID 29980403
methyl (3R,4S)-3-hydroxy-4-[methyl(phenylmethoxycarbonyl)amino]-5-phenylpentanoate
CID 44286259

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one (CID 46944438) is (4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one is C=CC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)CCOCc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is NOOFWDPRDZIIBN-ZLNRFVROSA-N. The full InChI is InChI=1S/C25H29NO5/c1-2-9-22(23(27)14-15-30-17-20-12-7-4-8-13-20)24(28)26-21(18-31-25(26)29)16-19-10-5-3-6-11-19/h2-8,10-13,21-23,27H,1,9,14-18H2/t21-,22-,23+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 423.51 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46944438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).