[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate

C12H14FN5O4 — CID 130221705

IUPAC[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)On1nnn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C12H14FN5O4/c1-16(6-7-21-2)12(20)22-18-11(19)17(14-15-18)10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,1-2H3
InChIKeyGWIZXVYIUWCKIR-UHFFFAOYSA-N
MW311.27 g/mol
LogP-0.31
Rot. Bonds5

About [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate

[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate (PubChem CID 130221705) has the molecular formula C12H14FN5O4 and a molecular weight of 311.27 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate
PubChem CID130221705
Molecular FormulaC12H14FN5O4
Molecular Weight311.27 g/mol
Exact Mass311.10
IUPAC Name[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)On1nnn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C12H14FN5O4/c1-16(6-7-21-2)12(20)22-18-11(19)17(14-15-18)10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,1-2H3
InChIKeyGWIZXVYIUWCKIR-UHFFFAOYSA-N
XLogP-0.31
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-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 [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate?
The IUPAC name of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate (CID 130221705) is [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate.
What is the SMILES notation for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate?
The canonical SMILES for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate is COCCN(C)C(=O)On1nnn(-c2cccc(F)c2)c1=O.
What is the InChIKey of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate?
The InChIKey is GWIZXVYIUWCKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O4/c1-16(6-7-21-2)12(20)22-18-11(19)17(14-15-18)10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate?
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate has a molecular weight of 311.27 g/mol, XLogP of -0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate is sourced from PubChem (CID 130221705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).