4-(4-tert-butylphenyl)-1,2-oxazol-3-amine

C13H16N2O — CID 973121

IUPAC4-(4-tert-butylphenyl)-1,2-oxazol-3-amine
SMILESCC(C)(C)c1ccc(-c2conc2N)cc1
InChIInChI=1S/C13H16N2O/c1-13(2,3)10-6-4-9(5-7-10)11-8-16-15-12(11)14/h4-8H,1-3H3,(H2,14,15)
InChIKeyHJVCIRVWHZHBFA-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.22
Rot. Bonds1

About 4-(4-tert-butylphenyl)-1,2-oxazol-3-amine

4-(4-tert-butylphenyl)-1,2-oxazol-3-amine (PubChem CID 973121) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1,2-oxazol-3-amine
PubChem CID973121
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(4-tert-butylphenyl)-1,2-oxazol-3-amine
SMILESCC(C)(C)c1ccc(-c2conc2N)cc1
InChIInChI=1S/C13H16N2O/c1-13(2,3)10-6-4-9(5-7-10)11-8-16-15-12(11)14/h4-8H,1-3H3,(H2,14,15)
InChIKeyHJVCIRVWHZHBFA-UHFFFAOYSA-N
XLogP3.22
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-1,2-oxazol-3-amine (CID 973121) is 4-(4-tert-butylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-1,2-oxazol-3-amine is CC(C)(C)c1ccc(-c2conc2N)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-1,2-oxazol-3-amine?
The InChIKey is HJVCIRVWHZHBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)10-6-4-9(5-7-10)11-8-16-15-12(11)14/h4-8H,1-3H3,(H2,14,15).
What are the key properties of 4-(4-tert-butylphenyl)-1,2-oxazol-3-amine?
4-(4-tert-butylphenyl)-1,2-oxazol-3-amine has a molecular weight of 216.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 973121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).