5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C20H24N6O — CID 46987468

IUPAC5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC=CCn1cc(CN2CCCC(c3nc(-c4cccnc4)no3)C2)c(C)n1
InChIInChI=1S/C20H24N6O/c1-3-9-26-14-18(15(2)23-26)13-25-10-5-7-17(12-25)20-22-19(24-27-20)16-6-4-8-21-11-16/h3-4,6,8,11,14,17H,1,5,7,9-10,12-13H2,2H3
InChIKeyLFSNBPMFJYECOK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.20
Rot. Bonds6

About 5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 46987468) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID46987468
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC=CCn1cc(CN2CCCC(c3nc(-c4cccnc4)no3)C2)c(C)n1
InChIInChI=1S/C20H24N6O/c1-3-9-26-14-18(15(2)23-26)13-25-10-5-7-17(12-25)20-22-19(24-27-20)16-6-4-8-21-11-16/h3-4,6,8,11,14,17H,1,5,7,9-10,12-13H2,2H3
InChIKeyLFSNBPMFJYECOK-UHFFFAOYSA-N
XLogP3.20
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
CID 110200546
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849658
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849653
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
3-(4-methylphenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830116
3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92576526
3-pyridin-3-yl-5-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95849665
2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95800811
3-pyridin-3-yl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91768791
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50973299
2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124730881
2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95130318

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 46987468) is 5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is C=CCn1cc(CN2CCCC(c3nc(-c4cccnc4)no3)C2)c(C)n1.
What is the InChIKey of 5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is LFSNBPMFJYECOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-3-9-26-14-18(15(2)23-26)13-25-10-5-7-17(12-25)20-22-19(24-27-20)16-6-4-8-21-11-16/h3-4,6,8,11,14,17H,1,5,7,9-10,12-13H2,2H3.
What are the key properties of 5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 364.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 46987468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).