[1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate

C24H33NO5 — CID 46855967

IUPAC[1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate
SMILESC[C@@H](CCCC1(OC(=O)C(C)(C)C)CC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H33NO5/c1-17(9-8-12-24(13-14-24)30-21(27)23(2,3)4)20(26)25-19(16-29-22(25)28)15-18-10-6-5-7-11-18/h5-7,10-11,17,19H,8-9,12-16H2,1-4H3/t17-,19-/m0/s1
InChIKeyHLQRQEXRGPCLHW-HKUYNNGSSA-N
MW415.53 g/mol
LogP4.50
Rot. Bonds8

About [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate

[1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate (PubChem CID 46855967) has the molecular formula C24H33NO5 and a molecular weight of 415.53 g/mol. Its IUPAC name is [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate
PubChem CID46855967
Molecular FormulaC24H33NO5
Molecular Weight415.53 g/mol
Exact Mass415.24
IUPAC Name[1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate
SMILESC[C@@H](CCCC1(OC(=O)C(C)(C)C)CC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H33NO5/c1-17(9-8-12-24(13-14-24)30-21(27)23(2,3)4)20(26)25-19(16-29-22(25)28)15-18-10-6-5-7-11-18/h5-7,10-11,17,19H,8-9,12-16H2,1-4H3/t17-,19-/m0/s1
InChIKeyHLQRQEXRGPCLHW-HKUYNNGSSA-N
XLogP4.50
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
CID 74430125
(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one
CID 10318531
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
tert-butyl N-[(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutyl]carbamate
CID 15675051
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(4S)-4-benzyl-3-[(2S,6R)-2-methyl-6-(oxan-2-yloxy)heptanoyl]-1,3-oxazolidin-2-one
CID 178078188
(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
CID 14609646
(4S)-4-benzyl-3-[(2R,4R)-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 101262619
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
methyl (2S,3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-2-methyl-4-oxobutanoate
CID 102002465
(4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one
CID 11221759

Frequently Asked Questions

What is the IUPAC name of [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate?
The IUPAC name of [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate (CID 46855967) is [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate?
The canonical SMILES for [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate is C[C@@H](CCCC1(OC(=O)C(C)(C)C)CC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate?
The InChIKey is HLQRQEXRGPCLHW-HKUYNNGSSA-N. The full InChI is InChI=1S/C24H33NO5/c1-17(9-8-12-24(13-14-24)30-21(27)23(2,3)4)20(26)25-19(16-29-22(25)28)15-18-10-6-5-7-11-18/h5-7,10-11,17,19H,8-9,12-16H2,1-4H3/t17-,19-/m0/s1.
What are the key properties of [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate?
[1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate has a molecular weight of 415.53 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 46855967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).