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

C16H18N6O — CID 124751627

IUPAC2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(CN3CCC[C@@H](c4ccn[nH]4)C3)o2)c1
InChIInChI=1S/C16H18N6O/c1-3-12(9-17-6-1)16-21-20-15(23-16)11-22-8-2-4-13(10-22)14-5-7-18-19-14/h1,3,5-7,9,13H,2,4,8,10-11H2,(H,18,19)/t13-/m1/s1
InChIKeyHEGJJJLPQQKRSX-CYBMUJFWSA-N
MW310.36 g/mol
LogP2.23
Rot. Bonds4

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

2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 124751627) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID124751627
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(CN3CCC[C@@H](c4ccn[nH]4)C3)o2)c1
InChIInChI=1S/C16H18N6O/c1-3-12(9-17-6-1)16-21-20-15(23-16)11-22-8-2-4-13(10-22)14-5-7-18-19-14/h1,3,5-7,9,13H,2,4,8,10-11H2,(H,18,19)/t13-/m1/s1
InChIKeyHEGJJJLPQQKRSX-CYBMUJFWSA-N
XLogP2.23
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 71892441
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 122139250
2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 95849758
2-[[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 135106341
2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 172671471
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110243034
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
3-(furan-2-yl)-5-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124842582
1-(3-methylpiperidin-1-yl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330418
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
CID 126464915

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 124751627) is 2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is c1cncc(-c2nnc(CN3CCC[C@@H](c4ccn[nH]4)C3)o2)c1.
What is the InChIKey of 2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is HEGJJJLPQQKRSX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-12(9-17-6-1)16-21-20-15(23-16)11-22-8-2-4-13(10-22)14-5-7-18-19-14/h1,3,5-7,9,13H,2,4,8,10-11H2,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 310.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 124751627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).