3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole

C15H22N4O2 — CID 164636155

IUPAC3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole
SMILESCCO[C@H](c1noc(CCn2cccn2)n1)C1CCCC1
InChIInChI=1S/C15H22N4O2/c1-2-20-14(12-6-3-4-7-12)15-17-13(21-18-15)8-11-19-10-5-9-16-19/h5,9-10,12,14H,2-4,6-8,11H2,1H3/t14-/m0/s1
InChIKeyUGTDKKCRPGTQDX-AWEZNQCLSA-N
MW290.37 g/mol
LogP2.78
Rot. Bonds7

About 3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole

3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 164636155) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole
PubChem CID164636155
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole
SMILESCCO[C@H](c1noc(CCn2cccn2)n1)C1CCCC1
InChIInChI=1S/C15H22N4O2/c1-2-20-14(12-6-3-4-7-12)15-17-13(21-18-15)8-11-19-10-5-9-16-19/h5,9-10,12,14H,2-4,6-8,11H2,1H3/t14-/m0/s1
InChIKeyUGTDKKCRPGTQDX-AWEZNQCLSA-N
XLogP2.78
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53557636
4-[[5-(2-Methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559178
3-(1-Methoxycyclobutyl)-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole
CID 132379836
3-[Cyclopentyl(ethoxy)methyl]-5-[[3-(difluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole
CID 136570263
3-(4-Methoxyoxan-4-yl)-5-(3,3,3-trifluoro-2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole
CID 167756700
4-[(5-Butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559181
5-[3-(1H-pyrazol-1-yl)propyl]-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole
CID 72884208
(2S)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277505
(2R)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277506
(2S)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279213
(2R)-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279214
(2S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279219

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole (CID 164636155) is 3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole is CCO[C@H](c1noc(CCn2cccn2)n1)C1CCCC1.
What is the InChIKey of 3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is UGTDKKCRPGTQDX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-20-14(12-6-3-4-7-12)15-17-13(21-18-15)8-11-19-10-5-9-16-19/h5,9-10,12,14H,2-4,6-8,11H2,1H3/t14-/m0/s1.
What are the key properties of 3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole?
3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-cyclopentyl(ethoxy)methyl]-5-(2-pyrazol-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 164636155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).