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

C15H15N5O — CID 106902698

IUPAC3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
SMILESCn1cncc1-c1noc(C2CNc3ccccc3C2)n1
InChIInChI=1S/C15H15N5O/c1-20-9-16-8-13(20)14-18-15(21-19-14)11-6-10-4-2-3-5-12(10)17-7-11/h2-5,8-9,11,17H,6-7H2,1H3
InChIKeyFBBZCZORZBSXKW-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.22
Rot. Bonds2

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

3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 106902698) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID106902698
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
SMILESCn1cncc1-c1noc(C2CNc3ccccc3C2)n1
InChIInChI=1S/C15H15N5O/c1-20-9-16-8-13(20)14-18-15(21-19-14)11-6-10-4-2-3-5-12(10)17-7-11/h2-5,8-9,11,17H,6-7H2,1H3
InChIKeyFBBZCZORZBSXKW-UHFFFAOYSA-N
XLogP2.22
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902639
3-(2-methylfuran-3-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902703
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902657
4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 82887297
5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 106902692
3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781776
[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 82895650
5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65196596
6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902728
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899226
3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline
CID 106902586
7-bromo-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902739

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole (CID 106902698) is 3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole is Cn1cncc1-c1noc(C2CNc3ccccc3C2)n1.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is FBBZCZORZBSXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20-9-16-8-13(20)14-18-15(21-19-14)11-6-10-4-2-3-5-12(10)17-7-11/h2-5,8-9,11,17H,6-7H2,1H3.
What are the key properties of 3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole?
3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 281.32 g/mol, XLogP of 2.22, 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-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106902698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).