5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole

C15H17N5O — CID 167812481

IUPAC5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCc1ccc(C(C)c2nc(Cn3ccnn3)no2)cc1
InChIInChI=1S/C15H17N5O/c1-3-12-4-6-13(7-5-12)11(2)15-17-14(18-21-15)10-20-9-8-16-19-20/h4-9,11H,3,10H2,1-2H3
InChIKeyRESFHEYECWAMST-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.42
Rot. Bonds5

About 5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole

5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 167812481) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID167812481
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCc1ccc(C(C)c2nc(Cn3ccnn3)no2)cc1
InChIInChI=1S/C15H17N5O/c1-3-12-4-6-13(7-5-12)11(2)15-17-14(18-21-15)10-20-9-8-16-19-20/h4-9,11H,3,10H2,1-2H3
InChIKeyRESFHEYECWAMST-UHFFFAOYSA-N
XLogP2.42
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[3-(triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzonitrile
CID 167910668
3-(triazol-1-ylmethyl)-5-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole
CID 167851628
4-[1-[3-(triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethoxy]benzonitrile
CID 167817118
5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 91661141
1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160986
5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 167794524
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 166252699
3-(triazol-1-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 167810623
3-[[4-(1-chloroethyl)triazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 81449381
3-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 81448656
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114420018
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole
CID 118871359

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole (CID 167812481) is 5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole is CCc1ccc(C(C)c2nc(Cn3ccnn3)no2)cc1.
What is the InChIKey of 5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is RESFHEYECWAMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-12-4-6-13(7-5-12)11(2)15-17-14(18-21-15)10-20-9-8-16-19-20/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 283.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167812481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).