5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C12H11N5O — CID 62944463

IUPAC5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCCc1ccc(-c2nc(-c3ncn[nH]3)no2)cc1
InChIInChI=1S/C12H11N5O/c1-2-8-3-5-9(6-4-8)12-15-11(17-18-12)10-13-7-14-16-10/h3-7H,2H2,1H3,(H,13,14,16)
InChIKeyYHXLJLZZXFJTBP-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.08
Rot. Bonds3

About 5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 62944463) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID62944463
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCCc1ccc(-c2nc(-c3ncn[nH]3)no2)cc1
InChIInChI=1S/C12H11N5O/c1-2-8-3-5-9(6-4-8)12-15-11(17-18-12)10-13-7-14-16-10/h3-7H,2H2,1H3,(H,13,14,16)
InChIKeyYHXLJLZZXFJTBP-UHFFFAOYSA-N
XLogP2.08
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665718
4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62924626
5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259901
5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 78953697
5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 113245529
5-(3-chloro-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 81422502
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946123
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
5-(3-chloro-5-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 80979027
5-(5-bromo-2-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62960473
5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 63049328
5-(2-bromo-5-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946120

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 62944463) is 5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is CCc1ccc(-c2nc(-c3ncn[nH]3)no2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is YHXLJLZZXFJTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-2-8-3-5-9(6-4-8)12-15-11(17-18-12)10-13-7-14-16-10/h3-7H,2H2,1H3,(H,13,14,16).
What are the key properties of 5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 241.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 62944463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).