2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile

C21H14FN5O — CID 72706755

IUPAC2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile
SMILESN#CCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H14FN5O/c22-18-10-4-5-11-19(18)27-21(24-25-26-27)17-9-2-1-7-15(17)16-8-3-6-12-20(16)28-14-13-23/h1-12H,14H2
InChIKeyFJWXXFGDRYYTRT-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.04
Rot. Bonds5

About 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile

2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile (PubChem CID 72706755) has the molecular formula C21H14FN5O and a molecular weight of 371.38 g/mol. Its IUPAC name is 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile
PubChem CID72706755
Molecular FormulaC21H14FN5O
Molecular Weight371.38 g/mol
Exact Mass371.12
IUPAC Name2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile
SMILESN#CCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H14FN5O/c22-18-10-4-5-11-19(18)27-21(24-25-26-27)17-9-2-1-7-15(17)16-8-3-6-12-20(16)28-14-13-23/h1-12H,14H2
InChIKeyFJWXXFGDRYYTRT-UHFFFAOYSA-N
XLogP4.04
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)-1H-tetrazole
CID 665835
1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1H-1,2,3,4-tetraazole
CID 1488269
Process for preparing 1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]-1h-1,2,3,4-tetrazole
CID 73052360
1-(2-Fluorophenyl)-5-{2-[2-(methoxymethyl)phenyl]phenyl}-1H-1,2,3,4-tetrazole
CID 73052514
2-(2-{2-[1-(2-Fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]phenyl}phenoxy)acetamide
CID 73052519
Process for preparing 2-(5-{2-[2-(difluoromethoxy)phenyl]phenyl}-1h-1,2,3,4-tetrazol-1-yl)benzonitrile
CID 73052677
Methyl 2-(2-{2-[1-(2-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]phenyl}phenoxy)acetate
CID 73052678
1-(2-Fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]-1H-1,2,3,4-tetrazole
CID 73052680
Process for preparing 5-{2-[2-(fluoromethoxy)phenyl]phenyl}-1-(2-fluorophenyl)-1h-1,2,3,4-tetrazole
CID 73052681
Process for preparing 5-[2-(2-fluorophenyl)phenyl]-1-(2-methoxyphenyl)-1h-1,2,3,4-tetrazole
CID 73052839
1-(2-Fluorophenyl)-5-{2-[2-(methoxymethoxy)phenyl]phenyl}-1H-1,2,3,4-tetrazole
CID 73052998
1-(2-Fluorophenyl)-5-{2-[2-(propan-2-yloxy)phenyl]phenyl}-1H-1,2,3,4-tetrazole
CID 73052999

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile (CID 72706755) is 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile is N#CCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile?
The InChIKey is FJWXXFGDRYYTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O/c22-18-10-4-5-11-19(18)27-21(24-25-26-27)17-9-2-1-7-15(17)16-8-3-6-12-20(16)28-14-13-23/h1-12H,14H2.
What are the key properties of 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile?
2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile has a molecular weight of 371.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]phenoxy]acetonitrile is sourced from PubChem (CID 72706755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).