5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole

C10H14N4O — CID 91649171

IUPAC5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole
SMILESCC(C)(C)c1cnc(Cn2ccnn2)o1
InChIInChI=1S/C10H14N4O/c1-10(2,3)8-6-11-9(15-8)7-14-5-4-12-13-14/h4-6H,7H2,1-3H3
InChIKeyOBNJLZLMHIDZJN-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.61
Rot. Bonds2

About 5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole

5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole (PubChem CID 91649171) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole
PubChem CID91649171
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole
SMILESCC(C)(C)c1cnc(Cn2ccnn2)o1
InChIInChI=1S/C10H14N4O/c1-10(2,3)8-6-11-9(15-8)7-14-5-4-12-13-14/h4-6H,7H2,1-3H3
InChIKeyOBNJLZLMHIDZJN-UHFFFAOYSA-N
XLogP1.61
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole (CID 91649171) is 5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole is CC(C)(C)c1cnc(Cn2ccnn2)o1.
What is the InChIKey of 5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole?
The InChIKey is OBNJLZLMHIDZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-10(2,3)8-6-11-9(15-8)7-14-5-4-12-13-14/h4-6H,7H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole?
5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole has a molecular weight of 206.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(triazol-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 91649171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).