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

C14H18FN5O4 — CID 130221765

IUPAC[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate
SMILESCCCN(CCOC)C(=O)On1nnn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C14H18FN5O4/c1-3-7-18(8-9-23-2)14(22)24-20-13(21)19(16-17-20)12-6-4-5-11(15)10-12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyFWOUQBDKCHMSAD-UHFFFAOYSA-N
MW339.33 g/mol
LogP0.48
Rot. Bonds7

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

[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate (PubChem CID 130221765) has the molecular formula C14H18FN5O4 and a molecular weight of 339.33 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate
PubChem CID130221765
Molecular FormulaC14H18FN5O4
Molecular Weight339.33 g/mol
Exact Mass339.13
IUPAC Name[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate
SMILESCCCN(CCOC)C(=O)On1nnn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C14H18FN5O4/c1-3-7-18(8-9-23-2)14(22)24-20-13(21)19(16-17-20)12-6-4-5-11(15)10-12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyFWOUQBDKCHMSAD-UHFFFAOYSA-N
XLogP0.48
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 50.48
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-propylcarbamate 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-propylcarbamate?
The IUPAC name of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate (CID 130221765) is [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate.
What is the SMILES notation for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate?
The canonical SMILES for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate is CCCN(CCOC)C(=O)On1nnn(-c2cccc(F)c2)c1=O.
What is the InChIKey of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate?
The InChIKey is FWOUQBDKCHMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O4/c1-3-7-18(8-9-23-2)14(22)24-20-13(21)19(16-17-20)12-6-4-5-11(15)10-12/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate?
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate has a molecular weight of 339.33 g/mol, XLogP of 0.48, 7 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-propylcarbamate is sourced from PubChem (CID 130221765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).