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

C12H17N5O — CID 95817633

IUPAC3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(Cc3ncc[nH]3)CC2)no1
InChIInChI=1S/C12H17N5O/c1-9-15-12(16-18-9)10-2-6-17(7-3-10)8-11-13-4-5-14-11/h4-5,10H,2-3,6-8H2,1H3,(H,13,14)
InChIKeyUGQFDMOBDUKVTA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.48
Rot. Bonds3

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

3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 95817633) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID95817633
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(Cc3ncc[nH]3)CC2)no1
InChIInChI=1S/C12H17N5O/c1-9-15-12(16-18-9)10-2-6-17(7-3-10)8-11-13-4-5-14-11/h4-5,10H,2-3,6-8H2,1H3,(H,13,14)
InChIKeyUGQFDMOBDUKVTA-UHFFFAOYSA-N
XLogP1.48
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
CID 53617715
8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70777182
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 71928489
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 72044166
3-Imidazol-1-yl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 72146980
5-Cyclopropyl-3-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86771018
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 95824615
4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
CID 70773690
3-[(1H-Imidazol-1-YL)methyl]-5-(pentan-3-YL)-1,2,4-oxadiazole
CID 53193103
5-(1-ethylpropyl)-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53193117
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)ethanamine
CID 71928599
3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 75483490

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole (CID 95817633) is 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc(C2CCN(Cc3ncc[nH]3)CC2)no1.
What is the InChIKey of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is UGQFDMOBDUKVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-15-12(16-18-9)10-2-6-17(7-3-10)8-11-13-4-5-14-11/h4-5,10H,2-3,6-8H2,1H3,(H,13,14).
What are the key properties of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 247.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95817633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).