5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole

C17H16N4OS — CID 155516327

IUPAC5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccc(C4=NCC(C)N4)cc3)n2)s1
InChIInChI=1S/C17H16N4OS/c1-10-9-18-15(19-10)12-4-6-13(7-5-12)17-20-16(21-22-17)14-8-3-11(2)23-14/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyDNGVKOGQPHMHSW-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.51
Rot. Bonds3

About 5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole

5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 155516327) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
PubChem CID155516327
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccc(C4=NCC(C)N4)cc3)n2)s1
InChIInChI=1S/C17H16N4OS/c1-10-9-18-15(19-10)12-4-6-13(7-5-12)17-20-16(21-22-17)14-8-3-11(2)23-14/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyDNGVKOGQPHMHSW-UHFFFAOYSA-N
XLogP3.51
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole (CID 155516327) is 5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3ccc(C4=NCC(C)N4)cc3)n2)s1.
What is the InChIKey of 5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is DNGVKOGQPHMHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-10-9-18-15(19-10)12-4-6-13(7-5-12)17-20-16(21-22-17)14-8-3-11(2)23-14/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of 5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 324.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 155516327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).