N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C22H22N6O2 — CID 22586328

IUPACN-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1
InChIInChI=1S/C22H22N6O2/c1-14(23-21(29)15-7-3-2-4-8-15)22-24-20(26-30-22)16-11-12-19-18(13-16)25-27-28(19)17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,29)
InChIKeyAPQOWOGIGYUZOB-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.09
Rot. Bonds5

About N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 22586328) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID22586328
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1
InChIInChI=1S/C22H22N6O2/c1-14(23-21(29)15-7-3-2-4-8-15)22-24-20(26-30-22)16-11-12-19-18(13-16)25-27-28(19)17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,29)
InChIKeyAPQOWOGIGYUZOB-UHFFFAOYSA-N
XLogP4.09
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 22586328) is N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CC(NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1.
What is the InChIKey of N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is APQOWOGIGYUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14(23-21(29)15-7-3-2-4-8-15)22-24-20(26-30-22)16-11-12-19-18(13-16)25-27-28(19)17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,29).
What are the key properties of N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 402.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 22586328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).