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

C15H23N5O2 — CID 97004628

IUPAC3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)n1
InChIInChI=1S/C15H23N5O2/c1-11-8-13(18-17-11)12-4-3-6-20(9-12)10-15-16-14(19-22-15)5-7-21-2/h8,12H,3-7,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyKQYVFXOCZPLOGV-LBPRGKRZSA-N
MW305.38 g/mol
LogP1.67
Rot. Bonds6

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

3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 97004628) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID97004628
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)n1
InChIInChI=1S/C15H23N5O2/c1-11-8-13(18-17-11)12-4-3-6-20(9-12)10-15-16-14(19-22-15)5-7-21-2/h8,12H,3-7,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyKQYVFXOCZPLOGV-LBPRGKRZSA-N
XLogP1.67
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 97004628) is 3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is COCCc1noc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is KQYVFXOCZPLOGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11-8-13(18-17-11)12-4-3-6-20(9-12)10-15-16-14(19-22-15)5-7-21-2/h8,12H,3-7,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 305.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97004628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).