2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol

C19H17N5O2 — CID 156522216

IUPAC2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1
InChIInChI=1S/C19H17N5O2/c25-17-8-4-3-7-14(17)19-20-18(22-26-19)12-9-10-16-15(11-12)21-23-24(16)13-5-1-2-6-13/h3-4,7-11,13,25H,1-2,5-6H2
InChIKeyIXGAXZDYUUPLMZ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.97
Rot. Bonds3

About 2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol

2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 156522216) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID156522216
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1
InChIInChI=1S/C19H17N5O2/c25-17-8-4-3-7-14(17)19-20-18(22-26-19)12-9-10-16-15(11-12)21-23-24(16)13-5-1-2-6-13/h3-4,7-11,13,25H,1-2,5-6H2
InChIKeyIXGAXZDYUUPLMZ-UHFFFAOYSA-N
XLogP3.97
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-cyclopentylbenzotriazol-5-yl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
CID 53009475
N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586328
3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 53095374
[5-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]benzotriazol-1-yl]methanetriol
CID 170026869
5-(2-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53095215
5-(2-bromophenyl)-3-(1-propylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53095306
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
1-cyclohexylbenzotriazole-5-carboxamide
CID 53015649
[3-[5-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanetriol
CID 170027061
3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065881
1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 53009456
(4R)-1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93070146

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 156522216) is 2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccccc1-c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1.
What is the InChIKey of 2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is IXGAXZDYUUPLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-17-8-4-3-7-14(17)19-20-18(22-26-19)12-9-10-16-15(11-12)21-23-24(16)13-5-1-2-6-13/h3-4,7-11,13,25H,1-2,5-6H2.
What are the key properties of 2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 347.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 156522216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).