3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole

C20H22N4O — CID 167867868

IUPAC3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole
SMILESc1ccc(C2(c3noc(C4CC(n5cccn5)C4)n3)CCCC2)cc1
InChIInChI=1S/C20H22N4O/c1-2-7-16(8-3-1)20(9-4-5-10-20)19-22-18(25-23-19)15-13-17(14-15)24-12-6-11-21-24/h1-3,6-8,11-12,15,17H,4-5,9-10,13-14H2
InChIKeyBCEKZGCUJXUYJO-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.24
Rot. Bonds4

About 3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole

3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 167867868) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole
PubChem CID167867868
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole
SMILESc1ccc(C2(c3noc(C4CC(n5cccn5)C4)n3)CCCC2)cc1
InChIInChI=1S/C20H22N4O/c1-2-7-16(8-3-1)20(9-4-5-10-20)19-22-18(25-23-19)15-13-17(14-15)24-12-6-11-21-24/h1-3,6-8,11-12,15,17H,4-5,9-10,13-14H2
InChIKeyBCEKZGCUJXUYJO-UHFFFAOYSA-N
XLogP4.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole (CID 167867868) is 3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole is c1ccc(C2(c3noc(C4CC(n5cccn5)C4)n3)CCCC2)cc1.
What is the InChIKey of 3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is BCEKZGCUJXUYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-7-16(8-3-1)20(9-4-5-10-20)19-22-18(25-23-19)15-13-17(14-15)24-12-6-11-21-24/h1-3,6-8,11-12,15,17H,4-5,9-10,13-14H2.
What are the key properties of 3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole?
3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylcyclopentyl)-5-(3-pyrazol-1-ylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167867868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).