3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C12H17N5O — CID 82895735

IUPAC3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCn1cncc1-c1noc(C2(C)CCNCC2)n1
InChIInChI=1S/C12H17N5O/c1-12(3-5-13-6-4-12)11-15-10(16-18-11)9-7-14-8-17(9)2/h7-8,13H,3-6H2,1-2H3
InChIKeyNQHHOTWDZFQMCD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.11
Rot. Bonds2

About 3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 82895735) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID82895735
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCn1cncc1-c1noc(C2(C)CCNCC2)n1
InChIInChI=1S/C12H17N5O/c1-12(3-5-13-6-4-12)11-15-10(16-18-11)9-7-14-8-17(9)2/h7-8,13H,3-6H2,1-2H3
InChIKeyNQHHOTWDZFQMCD-UHFFFAOYSA-N
XLogP1.11
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 82895735) is 3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is Cn1cncc1-c1noc(C2(C)CCNCC2)n1.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is NQHHOTWDZFQMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-12(3-5-13-6-4-12)11-15-10(16-18-11)9-7-14-8-17(9)2/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 247.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 82895735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).