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

C14H22N4O2 — CID 136569277

IUPAC1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cn(Cc2coc(C(C)(C)C)n2)nn1
InChIInChI=1S/C14H22N4O2/c1-13(2,3)12-15-11(9-20-12)8-18-7-10(16-17-18)6-14(4,5)19/h7,9,19H,6,8H2,1-5H3
InChIKeySTPVSAJYHZTWPV-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.93
Rot. Bonds4

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

1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol (PubChem CID 136569277) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol
PubChem CID136569277
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cn(Cc2coc(C(C)(C)C)n2)nn1
InChIInChI=1S/C14H22N4O2/c1-13(2,3)12-15-11(9-20-12)8-18-7-10(16-17-18)6-14(4,5)19/h7,9,19H,6,8H2,1-5H3
InChIKeySTPVSAJYHZTWPV-UHFFFAOYSA-N
XLogP1.93
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol with MolForge

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90931320
2-[[4-(2-hydroxy-2-methylpropyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 167833544
1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90985884
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194073
2-[[4-(bromomethyl)triazol-1-yl]methyl]-5-tert-butyl-1,3,4-oxadiazole
CID 62400109
1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine
CID 66928495
2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461356
2-amino-3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propanoic acid
CID 116735035
1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]cyclopropan-1-amine
CID 105462198
4-(bromomethyl)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]triazole
CID 62402145
3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol
CID 138056398
1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62059606

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol (CID 136569277) is 1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol is CC(C)(O)Cc1cn(Cc2coc(C(C)(C)C)n2)nn1.
What is the InChIKey of 1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol?
The InChIKey is STPVSAJYHZTWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-13(2,3)12-15-11(9-20-12)8-18-7-10(16-17-18)6-14(4,5)19/h7,9,19H,6,8H2,1-5H3.
What are the key properties of 1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol?
1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol has a molecular weight of 278.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 136569277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).