3-tert-butyl-1,2-oxazol-5-amine

C7H12N2O — CID 2095694

IUPAC3-tert-butyl-1,2-oxazol-5-amine
SMILESCC(C)(C)c1cc(N)on1
InChIInChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)10-9-5/h4H,8H2,1-3H3
InChIKeyAPHNQOGPYLTSFX-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.55
Rot. Bonds

About 3-tert-butyl-1,2-oxazol-5-amine

3-tert-butyl-1,2-oxazol-5-amine (PubChem CID 2095694) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-tert-butyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1,2-oxazol-5-amine
PubChem CID2095694
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-tert-butyl-1,2-oxazol-5-amine
SMILESCC(C)(C)c1cc(N)on1
InChIInChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)10-9-5/h4H,8H2,1-3H3
InChIKeyAPHNQOGPYLTSFX-UHFFFAOYSA-N
XLogP1.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2-oxazol-5-amine?
The IUPAC name of 3-tert-butyl-1,2-oxazol-5-amine (CID 2095694) is 3-tert-butyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-tert-butyl-1,2-oxazol-5-amine is CC(C)(C)c1cc(N)on1.
What is the InChIKey of 3-tert-butyl-1,2-oxazol-5-amine?
The InChIKey is APHNQOGPYLTSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)10-9-5/h4H,8H2,1-3H3.
What are the key properties of 3-tert-butyl-1,2-oxazol-5-amine?
3-tert-butyl-1,2-oxazol-5-amine has a molecular weight of 140.19 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2-oxazol-5-amine is sourced from PubChem (CID 2095694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).