5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole

C16H15N5O — CID 19882437

IUPAC5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(CCn3ccnc3)n2)c2ccccc21
InChIInChI=1S/C16H15N5O/c1-20-10-13(12-4-2-3-5-14(12)20)16-18-15(22-19-16)6-8-21-9-7-17-11-21/h2-5,7,9-11H,6,8H2,1H3
InChIKeyXPPAYARMVLBZGX-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.67
Rot. Bonds4

About 5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole

5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 19882437) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID19882437
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(CCn3ccnc3)n2)c2ccccc21
InChIInChI=1S/C16H15N5O/c1-20-10-13(12-4-2-3-5-14(12)20)16-18-15(22-19-16)6-8-21-9-7-17-11-21/h2-5,7,9-11H,6,8H2,1H3
InChIKeyXPPAYARMVLBZGX-UHFFFAOYSA-N
XLogP2.67
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole;hydrate;hydrochloride
CID 19882447
5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 19882445
(1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine
CID 22858930
3-(1-methylindol-3-yl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 18987424
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 70131273
(1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
CID 155806220
1-methyl-3-(4-methylpyrimidin-2-yl)indole
CID 134862486
3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 171912724
[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354726
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37422815
3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 14810796
5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859081

Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 19882437) is 5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(CCn3ccnc3)n2)c2ccccc21.
What is the InChIKey of 5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is XPPAYARMVLBZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-20-10-13(12-4-2-3-5-14(12)20)16-18-15(22-19-16)6-8-21-9-7-17-11-21/h2-5,7,9-11H,6,8H2,1H3.
What are the key properties of 5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 293.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 19882437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).