5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole

C13H16N6O — CID 70715812

IUPAC5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1nc(CCn2ccnc2-c2nccn2C)no1
InChIInChI=1S/C13H16N6O/c1-3-11-16-10(17-20-11)4-7-19-9-6-15-13(19)12-14-5-8-18(12)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNLZHKYONYXAYJK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.47
Rot. Bonds5

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

5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 70715812) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID70715812
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1nc(CCn2ccnc2-c2nccn2C)no1
InChIInChI=1S/C13H16N6O/c1-3-11-16-10(17-20-11)4-7-19-9-6-15-13(19)12-14-5-8-18(12)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNLZHKYONYXAYJK-UHFFFAOYSA-N
XLogP1.47
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Methyl-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53559374
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53567324
3-[[4-[(1-Methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
CID 53612620
5-Methyl-3-[[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 53614295
3-[[4-[(1-Methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 53620241
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1'-methyl-1H,1'H-2,2'-biimidazole
CID 56874414
1-isopropyl-4-(1'-methyl-1H,1'H-2,2'-biimidazol-1-yl)pyrrolidin-2-one
CID 70781490
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71872452
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 71878595
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 72044166
5-Cyclopropyl-3-[1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122863
5-Cyclopropyl-3-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122869

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole (CID 70715812) is 5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole is CCc1nc(CCn2ccnc2-c2nccn2C)no1.
What is the InChIKey of 5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is NLZHKYONYXAYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-3-11-16-10(17-20-11)4-7-19-9-6-15-13(19)12-14-5-8-18(12)2/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole?
5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 272.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70715812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).