5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole

C14H20N4O — CID 170758441

IUPAC5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)n2ccc(C3CCCC3)n2)n1
InChIInChI=1S/C14H20N4O/c1-3-13-15-14(19-17-13)10(2)18-9-8-12(16-18)11-6-4-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyVBJCRNREJXXYLL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.10
Rot. Bonds4

About 5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole

5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 170758441) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID170758441
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)n2ccc(C3CCCC3)n2)n1
InChIInChI=1S/C14H20N4O/c1-3-13-15-14(19-17-13)10(2)18-9-8-12(16-18)11-6-4-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyVBJCRNREJXXYLL-UHFFFAOYSA-N
XLogP3.10
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 170755918
[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
CID 175984090
prop-2-enyl 8-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carboxylate
CID 175984106
N-cyclopentyl-2-[5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 155953498
1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile
CID 48939790
5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 75805432
[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol
CID 111750179
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
CID 170756573
5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513956
2-[4-[5-[5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-7-carbonyl]pyrazol-1-yl]acetonitrile
CID 170756192

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole (CID 170758441) is 5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(C(C)n2ccc(C3CCCC3)n2)n1.
What is the InChIKey of 5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is VBJCRNREJXXYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-13-15-14(19-17-13)10(2)18-9-8-12(16-18)11-6-4-5-7-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole?
5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 260.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 170758441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).