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

C17H17N5O — CID 19882445

IUPAC5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCc1[nH]cnc1CCc1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C17H17N5O/c1-11-14(19-10-18-11)7-8-16-20-17(21-23-16)13-9-22(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyDNZKOBXYWFTXMI-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.05
Rot. Bonds4

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

5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 19882445) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID19882445
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCc1[nH]cnc1CCc1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C17H17N5O/c1-11-14(19-10-18-11)7-8-16-20-17(21-23-16)13-9-22(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyDNZKOBXYWFTXMI-UHFFFAOYSA-N
XLogP3.05
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 19882445) is 5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is Cc1[nH]cnc1CCc1nc(-c2cn(C)c3ccccc23)no1.
What is the InChIKey of 5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is DNZKOBXYWFTXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-14(19-10-18-11)7-8-16-20-17(21-23-16)13-9-22(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 307.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 19882445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).