4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile

C20H22N6O2 — CID 165428332

IUPAC4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile
SMILESCOc1ccc(CN2CCC(c3noc(C)n3)CC2)cc1-c1cn[nH]c1C#N
InChIInChI=1S/C20H22N6O2/c1-13-23-20(25-28-13)15-5-7-26(8-6-15)12-14-3-4-19(27-2)16(9-14)17-11-22-24-18(17)10-21/h3-4,9,11,15H,5-8,12H2,1-2H3,(H,22,24)
InChIKeyNGXWOHJVVYLJRY-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.03
Rot. Bonds5

About 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile

4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile (PubChem CID 165428332) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile
PubChem CID165428332
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile
SMILESCOc1ccc(CN2CCC(c3noc(C)n3)CC2)cc1-c1cn[nH]c1C#N
InChIInChI=1S/C20H22N6O2/c1-13-23-20(25-28-13)15-5-7-26(8-6-15)12-14-3-4-19(27-2)16(9-14)17-11-22-24-18(17)10-21/h3-4,9,11,15H,5-8,12H2,1-2H3,(H,22,24)
InChIKeyNGXWOHJVVYLJRY-UHFFFAOYSA-N
XLogP3.03
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile with MolForge

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Related Compounds

3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 92563106
5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 110223562
3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-4-methoxybenzonitrile
CID 128986531
5-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128971167
5-[1-[(4-methoxy-3-nitrophenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 86829479
2-methoxy-5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]benzonitrile
CID 84589683
methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate
CID 71971727
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
CID 56750158
2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
CID 65343978
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60677001
4-[(3-aminopyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792748

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile?
The IUPAC name of 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile (CID 165428332) is 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile is COc1ccc(CN2CCC(c3noc(C)n3)CC2)cc1-c1cn[nH]c1C#N.
What is the InChIKey of 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile?
The InChIKey is NGXWOHJVVYLJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-23-20(25-28-13)15-5-7-26(8-6-15)12-14-3-4-19(27-2)16(9-14)17-11-22-24-18(17)10-21/h3-4,9,11,15H,5-8,12H2,1-2H3,(H,22,24).
What are the key properties of 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile?
4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile has a molecular weight of 378.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 165428332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).