5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

C15H22N4O2 — CID 170755918

IUPAC5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C(C)n2ccc(C3CCOCC3)n2)n1
InChIInChI=1S/C15H22N4O2/c1-10(2)14-16-15(21-18-14)11(3)19-7-4-13(17-19)12-5-8-20-9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3
InChIKeyFNDPWZFYEXDTTA-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.89
Rot. Bonds4

About 5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 170755918) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID170755918
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C(C)n2ccc(C3CCOCC3)n2)n1
InChIInChI=1S/C15H22N4O2/c1-10(2)14-16-15(21-18-14)11(3)19-7-4-13(17-19)12-5-8-20-9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3
InChIKeyFNDPWZFYEXDTTA-UHFFFAOYSA-N
XLogP2.89
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(3-cyclopentylpyrazol-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 170758441
ethane;5-[8-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane-6-carbonyl]-1H-pyrazin-2-one
CID 170755884
5-[5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde
CID 170755936
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
CID 94412485
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129329023
1-(1-methylpyrazol-3-yl)-3-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129473295
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
[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
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 90326100
3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 97204799
(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129328850

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 170755918) is 5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(C(C)n2ccc(C3CCOCC3)n2)n1.
What is the InChIKey of 5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is FNDPWZFYEXDTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)14-16-15(21-18-14)11(3)19-7-4-13(17-19)12-5-8-20-9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3.
What are the key properties of 5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(oxan-4-yl)pyrazol-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 170755918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).