3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole

C20H18FN5O — CID 53095374

IUPAC3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cc2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)c1
InChIInChI=1S/C20H18FN5O/c21-15-5-3-4-13(10-15)11-19-22-20(24-27-19)14-8-9-18-17(12-14)23-25-26(18)16-6-1-2-7-16/h3-5,8-10,12,16H,1-2,6-7,11H2
InChIKeyWHDZXYZWPCYEFZ-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.33
Rot. Bonds4

About 3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole

3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 53095374) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID53095374
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cc2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)c1
InChIInChI=1S/C20H18FN5O/c21-15-5-3-4-13(10-15)11-19-22-20(24-27-19)14-8-9-18-17(12-14)23-25-26(18)16-6-1-2-7-16/h3-5,8-10,12,16H,1-2,6-7,11H2
InChIKeyWHDZXYZWPCYEFZ-UHFFFAOYSA-N
XLogP4.33
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361
2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 156522216
3-(1-cyclopentylbenzotriazol-5-yl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
CID 53009475
2-[5-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-N,N-dimethylethanamine
CID 53179946
3-[5-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53121468
N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586328
5-[(4-fluorophenyl)methyl]-3-(3-propan-2-ylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53172648
3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845617
5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944967
3-(chloromethyl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 43120187
1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 63348646
1-[5-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]ethanol
CID 156522276

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 53095374) is 3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole is Fc1cccc(Cc2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)c1.
What is the InChIKey of 3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is WHDZXYZWPCYEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-15-5-3-4-13(10-15)11-19-22-20(24-27-19)14-8-9-18-17(12-14)23-25-26(18)16-6-1-2-7-16/h3-5,8-10,12,16H,1-2,6-7,11H2.
What are the key properties of 3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 363.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53095374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).