5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole

C16H18N6O — CID 72844232

IUPAC5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(N3CCCC(c4ncc[nH]4)C3)nc2)n1
InChIInChI=1S/C16H18N6O/c1-11-20-16(23-21-11)12-4-5-14(19-9-12)22-8-2-3-13(10-22)15-17-6-7-18-15/h4-7,9,13H,2-3,8,10H2,1H3,(H,17,18)
InChIKeyMJWFFTUISLNMQS-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.55
Rot. Bonds3

About 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole

5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 72844232) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
PubChem CID72844232
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(N3CCCC(c4ncc[nH]4)C3)nc2)n1
InChIInChI=1S/C16H18N6O/c1-11-20-16(23-21-11)12-4-5-14(19-9-12)22-8-2-3-13(10-22)15-17-6-7-18-15/h4-7,9,13H,2-3,8,10H2,1H3,(H,17,18)
InChIKeyMJWFFTUISLNMQS-UHFFFAOYSA-N
XLogP2.55
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137257707
3-methyl-5-[6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 70751985
4-ethyl-3-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95215767
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97279213
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
4-(difluoromethyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine
CID 166270987
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
1-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 71794394

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (CID 72844232) is 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ccc(N3CCCC(c4ncc[nH]4)C3)nc2)n1.
What is the InChIKey of 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is MJWFFTUISLNMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-20-16(23-21-11)12-4-5-14(19-9-12)22-8-2-3-13(10-22)15-17-6-7-18-15/h4-7,9,13H,2-3,8,10H2,1H3,(H,17,18).
What are the key properties of 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 310.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 72844232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).