1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole

C21H17FN4O2 — CID 73052998

IUPAC1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole
SMILESCOCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H17FN4O2/c1-27-14-28-20-13-7-4-9-16(20)15-8-2-3-10-17(15)21-23-24-25-26(21)19-12-6-5-11-18(19)22/h2-13H,14H2,1H3
InChIKeyHMSOVJWJXGPDCB-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.12
Rot. Bonds6

About 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole

1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole (PubChem CID 73052998) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole
PubChem CID73052998
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole
SMILESCOCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H17FN4O2/c1-27-14-28-20-13-7-4-9-16(20)15-8-2-3-10-17(15)21-23-24-25-26(21)19-12-6-5-11-18(19)22/h2-13H,14H2,1H3
InChIKeyHMSOVJWJXGPDCB-UHFFFAOYSA-N
XLogP4.12
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole 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 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole?
The IUPAC name of 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole (CID 73052998) is 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole?
The canonical SMILES for 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole is COCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole?
The InChIKey is HMSOVJWJXGPDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-27-14-28-20-13-7-4-9-16(20)15-8-2-3-10-17(15)21-23-24-25-26(21)19-12-6-5-11-18(19)22/h2-13H,14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole?
1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole has a molecular weight of 376.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-[2-[2-(methoxymethoxy)phenyl]phenyl]tetrazole is sourced from PubChem (CID 73052998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).