N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide

C26H36N2O6 — CID 76652351

IUPACN-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide
SMILESO=CN(CC(CC1CCCCC1)C(=O)N1C(=O)OCC1Cc1ccccc1)OC1CCCCO1
InChIInChI=1S/C26H36N2O6/c29-19-27(34-24-13-7-8-14-32-24)17-22(15-20-9-3-1-4-10-20)25(30)28-23(18-33-26(28)31)16-21-11-5-2-6-12-21/h2,5-6,11-12,19-20,22-24H,1,3-4,7-10,13-18H2
InChIKeyPGHXHUKZYAJHCF-UHFFFAOYSA-N
MW472.58 g/mol
LogP4.08
Rot. Bonds10

About N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide

N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide (PubChem CID 76652351) has the molecular formula C26H36N2O6 and a molecular weight of 472.58 g/mol. Its IUPAC name is N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide.

Molecular Properties

Compound NameN-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide
PubChem CID76652351
Molecular FormulaC26H36N2O6
Molecular Weight472.58 g/mol
Exact Mass472.26
IUPAC NameN-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide
SMILESO=CN(CC(CC1CCCCC1)C(=O)N1C(=O)OCC1Cc1ccccc1)OC1CCCCO1
InChIInChI=1S/C26H36N2O6/c29-19-27(34-24-13-7-8-14-32-24)17-22(15-20-9-3-1-4-10-20)25(30)28-23(18-33-26(28)31)16-21-11-5-2-6-12-21/h2,5-6,11-12,19-20,22-24H,1,3-4,7-10,13-18H2
InChIKeyPGHXHUKZYAJHCF-UHFFFAOYSA-N
XLogP4.08
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-3-[2-(cyclobutylmethyl)-3-(oxan-2-yloxyamino)propanoyl]-1,3-oxazolidin-2-one
CID 76652342
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-1-phenylmethoxycarbonylpyrazolidine-3-carboxylic acid
CID 131732108
(4S)-4-benzyl-3-[(2S,6R)-2-methyl-6-(oxan-2-yloxy)heptanoyl]-1,3-oxazolidin-2-one
CID 178078188
(4S)-4-benzyl-3-[(Z,2S)-2-hydroxy-5-methyl-6-(oxan-2-yloxy)hex-4-enoyl]-1,3-oxazolidin-2-one
CID 10621193
4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one
CID 19797155
(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoic acid;N-propan-2-ylpropan-2-amine
CID 86637011
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-cyclopentylpentane-1,4-dione
CID 59971923
benzyl (3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 18658173
benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 70043070
3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid
CID 22397352
(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879
(4S)-4-benzyl-3-[(2R)-2-(hydroxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 10016346

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide?
The IUPAC name of N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide (CID 76652351) is N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide.
What is the SMILES notation for N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide?
The canonical SMILES for N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide is O=CN(CC(CC1CCCCC1)C(=O)N1C(=O)OCC1Cc1ccccc1)OC1CCCCO1.
What is the InChIKey of N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide?
The InChIKey is PGHXHUKZYAJHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O6/c29-19-27(34-24-13-7-8-14-32-24)17-22(15-20-9-3-1-4-10-20)25(30)28-23(18-33-26(28)31)16-21-11-5-2-6-12-21/h2,5-6,11-12,19-20,22-24H,1,3-4,7-10,13-18H2.
What are the key properties of N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide?
N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide has a molecular weight of 472.58 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(cyclohexylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide is sourced from PubChem (CID 76652351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).