3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole

C17H12FN5O — CID 8598166

IUPAC3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
SMILESFc1ccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)cc1
InChIInChI=1S/C17H12FN5O/c18-14-8-6-13(7-9-14)17-19-22-23(20-17)11-15-10-16(24-21-15)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyLERYMSZUSSBRIC-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.18
Rot. Bonds4

About 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole

3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole (PubChem CID 8598166) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
PubChem CID8598166
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
SMILESFc1ccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)cc1
InChIInChI=1S/C17H12FN5O/c18-14-8-6-13(7-9-14)17-19-22-23(20-17)11-15-10-16(24-21-15)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyLERYMSZUSSBRIC-UHFFFAOYSA-N
XLogP3.18
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Mls003106409
CID 290588
5-[5-(3-Nitro-phenyl)-isoxazol-3-yl]-1H-tetrazole
CID 10658836
3-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8598161
3-(3-Chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 155816057
3-(Azidomethyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazole
CID 15895130
1-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one
CID 58128749
5-Methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 7630479
N'-(5-phenylisoxazol-3-yl)methylene-5-(4-methylphenyl)isoxazole-3-carbohydrazonamide
CID 129769909
4-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 7465888
3-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 7630692
5-(4-Fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole
CID 8598247
5-Phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8681650

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole (CID 8598166) is 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole is Fc1ccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)cc1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole?
The InChIKey is LERYMSZUSSBRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-14-8-6-13(7-9-14)17-19-22-23(20-17)11-15-10-16(24-21-15)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole?
3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole has a molecular weight of 321.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 8598166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).