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

C11H17N5O2 — CID 55066803

IUPAC2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(C)(C)c1nnc(Cn2cc(CCO)nn2)o1
InChIInChI=1S/C11H17N5O2/c1-11(2,3)10-14-13-9(18-10)7-16-6-8(4-5-17)12-15-16/h6,17H,4-5,7H2,1-3H3
InChIKeyNVTYSYCPKJJNPI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.54
Rot. Bonds4

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

2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol (PubChem CID 55066803) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol
PubChem CID55066803
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(C)(C)c1nnc(Cn2cc(CCO)nn2)o1
InChIInChI=1S/C11H17N5O2/c1-11(2,3)10-14-13-9(18-10)7-16-6-8(4-5-17)12-15-16/h6,17H,4-5,7H2,1-3H3
InChIKeyNVTYSYCPKJJNPI-UHFFFAOYSA-N
XLogP0.54
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol (CID 55066803) is 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol is CC(C)(C)c1nnc(Cn2cc(CCO)nn2)o1.
What is the InChIKey of 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is NVTYSYCPKJJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-11(2,3)10-14-13-9(18-10)7-16-6-8(4-5-17)12-15-16/h6,17H,4-5,7H2,1-3H3.
What are the key properties of 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 251.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 55066803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).