3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C16H25N5O2 — CID 100871818

IUPAC3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCO[C@H](C)c1noc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)n1
InChIInChI=1S/C16H25N5O2/c1-4-22-12(3)16-17-15(23-20-16)10-21-7-5-6-13(9-21)14-8-11(2)18-19-14/h8,12-13H,4-7,9-10H2,1-3H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyMXFBDYJPLDIDJV-CHWSQXEVSA-N
MW319.41 g/mol
LogP2.58
Rot. Bonds6

About 3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 100871818) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID100871818
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCO[C@H](C)c1noc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)n1
InChIInChI=1S/C16H25N5O2/c1-4-22-12(3)16-17-15(23-20-16)10-21-7-5-6-13(9-21)14-8-11(2)18-19-14/h8,12-13H,4-7,9-10H2,1-3H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyMXFBDYJPLDIDJV-CHWSQXEVSA-N
XLogP2.58
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1R)-1-ethoxyethyl]-5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95773429
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 111434623
2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 71926991
1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 111434599
3-[(1S)-1-ethoxyethyl]-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 97029336
3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129461066
5-[[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 133403489
5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 71988766
[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 119896103
2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489365
5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901282

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 100871818) is 3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is CCO[C@H](C)c1noc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)n1.
What is the InChIKey of 3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is MXFBDYJPLDIDJV-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-4-22-12(3)16-17-15(23-20-16)10-21-7-5-6-13(9-21)14-8-11(2)18-19-14/h8,12-13H,4-7,9-10H2,1-3H3,(H,18,19)/t12-,13-/m1/s1.
What are the key properties of 3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 100871818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).