5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole

C18H20N4O2 — CID 166252655

IUPAC5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2c(c1)CCCC2c1noc(CCc2ncc[nH]2)n1
InChIInChI=1S/C18H20N4O2/c1-23-13-5-6-14-12(11-13)3-2-4-15(14)18-21-17(24-22-18)8-7-16-19-9-10-20-16/h5-6,9-11,15H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyIENQULHOZLAOCG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.05
Rot. Bonds5

About 5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole

5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole (PubChem CID 166252655) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
PubChem CID166252655
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2c(c1)CCCC2c1noc(CCc2ncc[nH]2)n1
InChIInChI=1S/C18H20N4O2/c1-23-13-5-6-14-12(11-13)3-2-4-15(14)18-21-17(24-22-18)8-7-16-19-9-10-20-16/h5-6,9-11,15H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyIENQULHOZLAOCG-UHFFFAOYSA-N
XLogP3.05
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191189
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 69119731
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350397
2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63757945
3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 63246972
1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline
CID 59556813
5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60917370
N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63247100
1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350351
3-[5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-6-phenyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 166364313
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-sulfonamide
CID 115000583
1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349766

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole (CID 166252655) is 5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole is COc1ccc2c(c1)CCCC2c1noc(CCc2ncc[nH]2)n1.
What is the InChIKey of 5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole?
The InChIKey is IENQULHOZLAOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-23-13-5-6-14-12(11-13)3-2-4-15(14)18-21-17(24-22-18)8-7-16-19-9-10-20-16/h5-6,9-11,15H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole?
5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-imidazol-2-yl)ethyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166252655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).