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

C11H16N4O2 — CID 62402220

IUPAC[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol
SMILESCC(C)(C)c1cnc(Cn2cc(CO)nn2)o1
InChIInChI=1S/C11H16N4O2/c1-11(2,3)9-4-12-10(17-9)6-15-5-8(7-16)13-14-15/h4-5,16H,6-7H2,1-3H3
InChIKeyJMOWOBAJYJFZBV-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.10
Rot. Bonds3

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

[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol (PubChem CID 62402220) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol
PubChem CID62402220
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol
SMILESCC(C)(C)c1cnc(Cn2cc(CO)nn2)o1
InChIInChI=1S/C11H16N4O2/c1-11(2,3)9-4-12-10(17-9)6-15-5-8(7-16)13-14-15/h4-5,16H,6-7H2,1-3H3
InChIKeyJMOWOBAJYJFZBV-UHFFFAOYSA-N
XLogP1.10
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol
CID 164629542
2-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
CID 55066705
2-[[4-(2-Bromoethyl)triazol-1-yl]methyl]-5-tert-butyl-1,3-oxazole
CID 55071781
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 55133640
[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine
CID 62053981
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyltriazole-4-carboxylic acid
CID 62056298
5-Tert-butyl-2-[[4-(chloromethyl)triazol-1-yl]methyl]-1,3-oxazole
CID 62399508
5-Tert-butyl-2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1,3-oxazole
CID 62400680
[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol
CID 62401087
2-[[4-(Bromomethyl)triazol-1-yl]methyl]-5-tert-butyl-1,3-oxazole
CID 62401974
2-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
CID 62402237
2-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine
CID 64005052

Frequently Asked Questions

What is the IUPAC name of [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol (CID 62402220) is [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol is CC(C)(C)c1cnc(Cn2cc(CO)nn2)o1.
What is the InChIKey of [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol?
The InChIKey is JMOWOBAJYJFZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2,3)9-4-12-10(17-9)6-15-5-8(7-16)13-14-15/h4-5,16H,6-7H2,1-3H3.
What are the key properties of [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol?
[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol has a molecular weight of 236.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62402220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).