5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

C19H20FN5O — CID 127037297

IUPAC5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCc4c(nnn4C4CCCC4)C3)n2)cc1
InChIInChI=1S/C19H20FN5O/c20-14-8-5-12(6-9-14)18-21-19(26-23-18)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-6,8-9,13,15H,1-4,7,10-11H2
InChIKeyUXDSKMZZDCGOBW-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.85
Rot. Bonds3

About 5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 127037297) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID127037297
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCc4c(nnn4C4CCCC4)C3)n2)cc1
InChIInChI=1S/C19H20FN5O/c20-14-8-5-12(6-9-14)18-21-19(26-23-18)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-6,8-9,13,15H,1-4,7,10-11H2
InChIKeyUXDSKMZZDCGOBW-UHFFFAOYSA-N
XLogP3.85
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 127037297) is 5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CCc4c(nnn4C4CCCC4)C3)n2)cc1.
What is the InChIKey of 5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is UXDSKMZZDCGOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-14-8-5-12(6-9-14)18-21-19(26-23-18)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-6,8-9,13,15H,1-4,7,10-11H2.
What are the key properties of 5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 353.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 127037297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).