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

C16H22NO6P — CID 14596285

IUPACbenzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCCOP(C)(=O)CCC1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H22NO6P/c1-3-23-24(2,20)10-9-14-15(18)22-12-17(14)16(19)21-11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
InChIKeyNGKCAHVPMJZTTQ-UHFFFAOYSA-N
MW355.33 g/mol
LogP2.84
Rot. Bonds7

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

benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 14596285) has the molecular formula C16H22NO6P and a molecular weight of 355.33 g/mol. Its IUPAC name is benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID14596285
Molecular FormulaC16H22NO6P
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC Namebenzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCCOP(C)(=O)CCC1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H22NO6P/c1-3-23-24(2,20)10-9-14-15(18)22-12-17(14)16(19)21-11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
InChIKeyNGKCAHVPMJZTTQ-UHFFFAOYSA-N
XLogP2.84
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-[2-[methyl(2-methylpropoxy)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 14596281
benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67742203
benzyl 4-(3,3-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 174342570
benzyl (4S)-4-[3-(dibenzylamino)-3-oxopropyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 70149500
benzyl 4-(3,3-dimethoxypropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 59168843
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-(4,4-dimethoxybutyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10947705
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-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 14596285) is benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate is CCOP(C)(=O)CCC1C(=O)OCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is NGKCAHVPMJZTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NO6P/c1-3-23-24(2,20)10-9-14-15(18)22-12-17(14)16(19)21-11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3.
What are the key properties of benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 355.33 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-[ethoxy(methyl)phosphoryl]ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 14596285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).