[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate

C14H18FN5O5 — CID 130221763

IUPAC[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate
SMILESCOCCN(CCOC)C(=O)On1nnn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C14H18FN5O5/c1-23-8-6-18(7-9-24-2)14(22)25-20-13(21)19(16-17-20)12-5-3-4-11(15)10-12/h3-5,10H,6-9H2,1-2H3
InChIKeyBIYYABQVCQOUOO-UHFFFAOYSA-N
MW355.33 g/mol
LogP-0.29
Rot. Bonds8

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

[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate (PubChem CID 130221763) has the molecular formula C14H18FN5O5 and a molecular weight of 355.33 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate
PubChem CID130221763
Molecular FormulaC14H18FN5O5
Molecular Weight355.33 g/mol
Exact Mass355.13
IUPAC Name[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate
SMILESCOCCN(CCOC)C(=O)On1nnn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C14H18FN5O5/c1-23-8-6-18(7-9-24-2)14(22)25-20-13(21)19(16-17-20)12-5-3-4-11(15)10-12/h3-5,10H,6-9H2,1-2H3
InChIKeyBIYYABQVCQOUOO-UHFFFAOYSA-N
XLogP-0.29
TPSA100.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate?
The IUPAC name of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate (CID 130221763) is [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate.
What is the SMILES notation for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate?
The canonical SMILES for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate is COCCN(CCOC)C(=O)On1nnn(-c2cccc(F)c2)c1=O.
What is the InChIKey of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate?
The InChIKey is BIYYABQVCQOUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O5/c1-23-8-6-18(7-9-24-2)14(22)25-20-13(21)19(16-17-20)12-5-3-4-11(15)10-12/h3-5,10H,6-9H2,1-2H3.
What are the key properties of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate?
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate has a molecular weight of 355.33 g/mol, XLogP of -0.29, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate is sourced from PubChem (CID 130221763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).