1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol

C16H12FN5O2 — CID 156522276

IUPAC1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol
SMILESCC(O)n1nnc2cc(-c3noc(-c4cccc(F)c4)n3)ccc21
InChIInChI=1S/C16H12FN5O2/c1-9(23)22-14-6-5-10(8-13(14)19-21-22)15-18-16(24-20-15)11-3-2-4-12(17)7-11/h2-9,23H,1H3
InChIKeyIPRLCCYPSPDXRY-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.80
Rot. Bonds3

About 1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol

1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol (PubChem CID 156522276) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is 1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol.

Molecular Properties

Compound Name1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol
PubChem CID156522276
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC Name1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol
SMILESCC(O)n1nnc2cc(-c3noc(-c4cccc(F)c4)n3)ccc21
InChIInChI=1S/C16H12FN5O2/c1-9(23)22-14-6-5-10(8-13(14)19-21-22)15-18-16(24-20-15)11-3-2-4-12(17)7-11/h2-9,23H,1H3
InChIKeyIPRLCCYPSPDXRY-UHFFFAOYSA-N
XLogP2.80
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234
7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-1H-quinoxaline-2,3-dione
CID 53065390
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 43514837
2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 60836256
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63346038
5-(3,4-dimethoxyphenyl)-3-(3-propan-2-ylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53172650
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 92895825
2-[5-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-N,N-dimethylethanamine
CID 53179931
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 71088156

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol?
The IUPAC name of 1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol (CID 156522276) is 1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol.
What is the SMILES notation for 1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol?
The canonical SMILES for 1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol is CC(O)n1nnc2cc(-c3noc(-c4cccc(F)c4)n3)ccc21.
What is the InChIKey of 1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol?
The InChIKey is IPRLCCYPSPDXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c1-9(23)22-14-6-5-10(8-13(14)19-21-22)15-18-16(24-20-15)11-3-2-4-12(17)7-11/h2-9,23H,1H3.
What are the key properties of 1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol?
1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol has a molecular weight of 325.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol is sourced from PubChem (CID 156522276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).