benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate

C18H26NO6P — CID 14596281

IUPACbenzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)COP(C)(=O)CCC1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H26NO6P/c1-14(2)11-25-26(3,22)10-9-16-17(20)24-13-19(16)18(21)23-12-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKeyPHRRNLKLDAHFKN-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.48
Rot. Bonds8

About benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate

benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 14596281) has the molecular formula C18H26NO6P and a molecular weight of 383.38 g/mol. Its IUPAC name is benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID14596281
Molecular FormulaC18H26NO6P
Molecular Weight383.38 g/mol
Exact Mass383.15
IUPAC Namebenzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)COP(C)(=O)CCC1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H26NO6P/c1-14(2)11-25-26(3,22)10-9-16-17(20)24-13-19(16)18(21)23-12-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKeyPHRRNLKLDAHFKN-UHFFFAOYSA-N
XLogP3.48
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate 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

benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 14596285
benzyl 4-(3,3-dimethoxypropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 59168843
benzyl 4-(3,3-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 174342570
benzyl (4S)-4-(4,4-dimethoxybutyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10947705
benzyl (4R)-5-oxo-4-(sulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 101064250
benzyl (4S)-4-(bromomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67707384
5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid
CID 139786436
benzyl (4S)-4-[3-(dibenzylamino)-3-oxopropyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 70149500
benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67742203
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl (4S)-4-[5-(1,3-dioxolan-2-yl)-3-oxopentyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 15669878
benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 102150396

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 14596281) is benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate is CC(C)COP(C)(=O)CCC1C(=O)OCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is PHRRNLKLDAHFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26NO6P/c1-14(2)11-25-26(3,22)10-9-16-17(20)24-13-19(16)18(21)23-12-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3.
What are the key properties of benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 383.38 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 14596281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).