oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate

C14H18FNO3 — CID 166879866

IUPACoxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(F)cc1)C(=O)OC1CCOCC1
InChIInChI=1S/C14H18FNO3/c1-16(10-11-2-4-12(15)5-3-11)14(17)19-13-6-8-18-9-7-13/h2-5,13H,6-10H2,1H3
InChIKeyJRVOXDWDIYCODL-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.57
Rot. Bonds3

About oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate

oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate (PubChem CID 166879866) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nameoxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
PubChem CID166879866
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nameoxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(F)cc1)C(=O)OC1CCOCC1
InChIInChI=1S/C14H18FNO3/c1-16(10-11-2-4-12(15)5-3-11)14(17)19-13-6-8-18-9-7-13/h2-5,13H,6-10H2,1H3
InChIKeyJRVOXDWDIYCODL-UHFFFAOYSA-N
XLogP2.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate 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 oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate?
The IUPAC name of oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate (CID 166879866) is oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate?
The canonical SMILES for oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate is CN(Cc1ccc(F)cc1)C(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate?
The InChIKey is JRVOXDWDIYCODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-16(10-11-2-4-12(15)5-3-11)14(17)19-13-6-8-18-9-7-13/h2-5,13H,6-10H2,1H3.
What are the key properties of oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate?
oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate has a molecular weight of 267.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-[(4-fluorophenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 166879866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).