methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C10H18N2O5 — CID 154954916

IUPACmethyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOCCCN1CC(CNC(=O)OC)OC1=O
InChIInChI=1S/C10H18N2O5/c1-15-5-3-4-12-7-8(17-10(12)14)6-11-9(13)16-2/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyZXWOQTMWFSZKSM-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.20
Rot. Bonds6

About methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 154954916) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID154954916
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Namemethyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOCCCN1CC(CNC(=O)OC)OC1=O
InChIInChI=1S/C10H18N2O5/c1-15-5-3-4-12-7-8(17-10(12)14)6-11-9(13)16-2/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyZXWOQTMWFSZKSM-UHFFFAOYSA-N
XLogP0.20
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 154954916) is methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COCCCN1CC(CNC(=O)OC)OC1=O.
What is the InChIKey of methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is ZXWOQTMWFSZKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-15-5-3-4-12-7-8(17-10(12)14)6-11-9(13)16-2/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 246.26 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3-(3-methoxypropyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 154954916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).