2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine

C13H21N5O — CID 122693183

IUPAC2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine
SMILESCC(C)(C)c1nc(Nc2cnc(C(C)(C)C)o2)n[nH]1
InChIInChI=1S/C13H21N5O/c1-12(2,3)9-16-11(18-17-9)15-8-7-14-10(19-8)13(4,5)6/h7H,1-6H3,(H2,15,16,17,18)
InChIKeyRUQWQJQCXOXDMZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.13
Rot. Bonds2

About 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine

2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine (PubChem CID 122693183) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine
PubChem CID122693183
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine
SMILESCC(C)(C)c1nc(Nc2cnc(C(C)(C)C)o2)n[nH]1
InChIInChI=1S/C13H21N5O/c1-12(2,3)9-16-11(18-17-9)15-8-7-14-10(19-8)13(4,5)6/h7H,1-6H3,(H2,15,16,17,18)
InChIKeyRUQWQJQCXOXDMZ-UHFFFAOYSA-N
XLogP3.13
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine with MolForge

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Related Compounds

2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole
CID 118391801
2-tert-butyl-5-(1-methoxyethyl)-1,3-oxazole
CID 57087934
2-tert-butyl-5-(methoxymethyl)-1,3-oxazole
CID 57110419
5-tert-butyl-3-ethenyl-1H-1,2,4-triazole
CID 138580209
3-[[(5-tert-butyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
CID 81065401
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
CID 87338226
5-tert-butyl-1H-1,2,4-triazole-3-carboxylic acid
CID 55263666
6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 134023049
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]oxazolo[5,4-c]pyridin-7-amine
CID 69196784
N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide
CID 166329220
5-tert-butyl-N-[2-methyl-3-(methylamino)propyl]-1H-1,2,4-triazole-3-carboxamide
CID 113282505
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloropyrimidin-4-amine
CID 87338222

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine?
The IUPAC name of 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine (CID 122693183) is 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine is CC(C)(C)c1nc(Nc2cnc(C(C)(C)C)o2)n[nH]1.
What is the InChIKey of 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine?
The InChIKey is RUQWQJQCXOXDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-12(2,3)9-16-11(18-17-9)15-8-7-14-10(19-8)13(4,5)6/h7H,1-6H3,(H2,15,16,17,18).
What are the key properties of 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine?
2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,3-oxazol-5-amine is sourced from PubChem (CID 122693183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).