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

C12H15N7O — CID 72884296

IUPAC5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1nc(CCn2cc(-c3nccn3C)nn2)no1
InChIInChI=1S/C12H15N7O/c1-3-11-14-10(16-20-11)4-6-19-8-9(15-17-19)12-13-5-7-18(12)2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyNHGPTTLAHBIWMQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.87
Rot. Bonds5

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

5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 72884296) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID72884296
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1nc(CCn2cc(-c3nccn3C)nn2)no1
InChIInChI=1S/C12H15N7O/c1-3-11-14-10(16-20-11)4-6-19-8-9(15-17-19)12-13-5-7-18(12)2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyNHGPTTLAHBIWMQ-UHFFFAOYSA-N
XLogP0.87
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 70727485
1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 56712179
N-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 91837460
5-Ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole
CID 146448592
5-Ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole
CID 146448711
1-Methyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)imidazol-2-yl]triazole
CID 58947494
[1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanamine
CID 62053634
5-Chloro-3-(3-propan-2-ylimidazol-4-yl)-1,2,4-oxadiazole
CID 66129704
5-Chloro-3-(3-propylimidazol-4-yl)-1,2,4-oxadiazole
CID 66141689
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]-N-methylmethanamine
CID 66215430
5-Tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 71996876
5-Cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 71996877

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole (CID 72884296) is 5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole is CCc1nc(CCn2cc(-c3nccn3C)nn2)no1.
What is the InChIKey of 5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is NHGPTTLAHBIWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O/c1-3-11-14-10(16-20-11)4-6-19-8-9(15-17-19)12-13-5-7-18(12)2/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole?
5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 273.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-[4-(1-methylimidazol-2-yl)triazol-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72884296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).