(4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one

C24H27NO4 — CID 135013529

IUPAC(4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H](OCc1ccccc1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H27NO4/c1-17(2)22(28-15-20-12-8-5-9-13-20)18(3)23(26)25-21(16-29-24(25)27)14-19-10-6-4-7-11-19/h4-13,18,21-22H,1,14-16H2,2-3H3/t18-,21-,22+/m1/s1
InChIKeyMVEIDORSOABNLZ-QIJUGHKUSA-N
MW393.48 g/mol
LogP4.37
Rot. Bonds8

About (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 135013529) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID135013529
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name(4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H](OCc1ccccc1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H27NO4/c1-17(2)22(28-15-20-12-8-5-9-13-20)18(3)23(26)25-21(16-29-24(25)27)14-19-10-6-4-7-11-19/h4-13,18,21-22H,1,14-16H2,2-3H3/t18-,21-,22+/m1/s1
InChIKeyMVEIDORSOABNLZ-QIJUGHKUSA-N
XLogP4.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid (R)-1,3-diphenyl-propyl ester
CID 9824296
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 9972080
(3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 44351104
Ephedroxane
CID 161171
Mlv 3076
CID 128596
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-cis)-
CID 13713344
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4S-trans)-
CID 13713346
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-trans)-
CID 13713348
(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
1-Phenylethyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46884791

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one (CID 135013529) is (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one is C=C(C)[C@H](OCc1ccccc1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is MVEIDORSOABNLZ-QIJUGHKUSA-N. The full InChI is InChI=1S/C24H27NO4/c1-17(2)22(28-15-20-12-8-5-9-13-20)18(3)23(26)25-21(16-29-24(25)27)14-19-10-6-4-7-11-19/h4-13,18,21-22H,1,14-16H2,2-3H3/t18-,21-,22+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 393.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135013529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).