2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol

C14H15N5O2 — CID 62401525

IUPAC2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol
SMILESCc1ccc(-c2nc(Cn3cc(CCO)nn3)no2)cc1
InChIInChI=1S/C14H15N5O2/c1-10-2-4-11(5-3-10)14-15-13(17-21-14)9-19-8-12(6-7-20)16-18-19/h2-5,8,20H,6-7,9H2,1H3
InChIKeyWYTOJIAAGIBYPF-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol

2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol (PubChem CID 62401525) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol
PubChem CID62401525
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol
SMILESCc1ccc(-c2nc(Cn3cc(CCO)nn3)no2)cc1
InChIInChI=1S/C14H15N5O2/c1-10-2-4-11(5-3-10)14-15-13(17-21-14)9-19-8-12(6-7-20)16-18-19/h2-5,8,20H,6-7,9H2,1H3
InChIKeyWYTOJIAAGIBYPF-UHFFFAOYSA-N
XLogP1.22
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol (CID 62401525) is 2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol is Cc1ccc(-c2nc(Cn3cc(CCO)nn3)no2)cc1.
What is the InChIKey of 2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is WYTOJIAAGIBYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-10-2-4-11(5-3-10)14-15-13(17-21-14)9-19-8-12(6-7-20)16-18-19/h2-5,8,20H,6-7,9H2,1H3.
What are the key properties of 2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol?
2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 285.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62401525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).