5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

C13H19N5O — CID 106410304

IUPAC5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cn2cncc2C2(C)CCNCC2)no1
InChIInChI=1S/C13H19N5O/c1-10-16-12(17-19-10)8-18-9-15-7-11(18)13(2)3-5-14-6-4-13/h7,9,14H,3-6,8H2,1-2H3
InChIKeyDXLAKMSNSYLSIY-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.26
Rot. Bonds3

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

5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 106410304) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID106410304
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cn2cncc2C2(C)CCNCC2)no1
InChIInChI=1S/C13H19N5O/c1-10-16-12(17-19-10)8-18-9-15-7-11(18)13(2)3-5-14-6-4-13/h7,9,14H,3-6,8H2,1-2H3
InChIKeyDXLAKMSNSYLSIY-UHFFFAOYSA-N
XLogP1.26
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-N-ethylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxamide
CID 97523395
5-[Difluoro(piperidin-4-yl)methyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
CID 138017407
4-butan-2-yl-N-[2-(formylcarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
CID 170206100
3,5-Dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole
CID 177028383
(5-Tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine
CID 66117759
(5-Tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propylimidazol-4-yl)methanamine
CID 66131035
(5-Tert-butyl-1,2,4-oxadiazol-3-yl)-(3-ethylimidazol-4-yl)methanamine
CID 66134943
(5-Tert-butyl-1,2,4-oxadiazol-3-yl)-(3-propan-2-ylimidazol-4-yl)methanamine
CID 66163637
N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 71872757
1-[2-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
CID 72020025
5-(4-Ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole
CID 82895545
3-(3-Methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 82895735

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 106410304) is 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(Cn2cncc2C2(C)CCNCC2)no1.
What is the InChIKey of 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is DXLAKMSNSYLSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10-16-12(17-19-10)8-18-9-15-7-11(18)13(2)3-5-14-6-4-13/h7,9,14H,3-6,8H2,1-2H3.
What are the key properties of 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106410304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).