5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C17H11F3N6O2 — CID 55529889

IUPAC5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(COc3ccc(-n4cnnn4)cc3)n2)cc1
InChIInChI=1S/C17H11F3N6O2/c18-17(19,20)12-3-1-11(2-4-12)16-22-15(28-23-16)9-27-14-7-5-13(6-8-14)26-10-21-24-25-26/h1-8,10H,9H2
InChIKeyZABXEOVXIKXHNI-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.31
Rot. Bonds5

About 5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 55529889) has the molecular formula C17H11F3N6O2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID55529889
Molecular FormulaC17H11F3N6O2
Molecular Weight388.31 g/mol
Exact Mass388.09
IUPAC Name5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(COc3ccc(-n4cnnn4)cc3)n2)cc1
InChIInChI=1S/C17H11F3N6O2/c18-17(19,20)12-3-1-11(2-4-12)16-22-15(28-23-16)9-27-14-7-5-13(6-8-14)26-10-21-24-25-26/h1-8,10H,9H2
InChIKeyZABXEOVXIKXHNI-UHFFFAOYSA-N
XLogP3.31
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-2-[4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenoxy]propanoic acid
CID 10112970
4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30029077
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
CID 17398436
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 4-carbamoylbenzoate
CID 32864538
1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 30386873
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936
5-[(4-nitrophenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19657979
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(tetrazol-1-yl)benzoate
CID 55494808
5-(imidazol-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32742768
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione
CID 95917568
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 55529889) is 5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(COc3ccc(-n4cnnn4)cc3)n2)cc1.
What is the InChIKey of 5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is ZABXEOVXIKXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O2/c18-17(19,20)12-3-1-11(2-4-12)16-22-15(28-23-16)9-27-14-7-5-13(6-8-14)26-10-21-24-25-26/h1-8,10H,9H2.
What are the key properties of 5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 388.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 55529889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).