5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine

C14H22N4O — CID 75517167

IUPAC5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine
SMILESCc1nn(C)c(C)c1CNc1cc(C(C)(C)C)on1
InChIInChI=1S/C14H22N4O/c1-9-11(10(2)18(6)16-9)8-15-13-7-12(19-17-13)14(3,4)5/h7H,8H2,1-6H3,(H,15,17)
InChIKeyDFEHMUJGBZTPGV-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.93
Rot. Bonds3

About 5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine

5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine (PubChem CID 75517167) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine
PubChem CID75517167
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine
SMILESCc1nn(C)c(C)c1CNc1cc(C(C)(C)C)on1
InChIInChI=1S/C14H22N4O/c1-9-11(10(2)18(6)16-9)8-15-13-7-12(19-17-13)14(3,4)5/h7H,8H2,1-6H3,(H,15,17)
InChIKeyDFEHMUJGBZTPGV-UHFFFAOYSA-N
XLogP2.93
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine (CID 75517167) is 5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine is Cc1nn(C)c(C)c1CNc1cc(C(C)(C)C)on1.
What is the InChIKey of 5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine?
The InChIKey is DFEHMUJGBZTPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-11(10(2)18(6)16-9)8-15-13-7-12(19-17-13)14(3,4)5/h7H,8H2,1-6H3,(H,15,17).
What are the key properties of 5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine?
5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine has a molecular weight of 262.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 75517167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).