4-tert-butyl-1,3-oxazol-2-amine;hydrochloride

C7H13ClN2O — CID 118994196

IUPAC4-tert-butyl-1,3-oxazol-2-amine;hydrochloride
SMILESCC(C)(C)c1coc(N)n1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-7(2,3)5-4-10-6(8)9-5;/h4H,1-3H3,(H2,8,9);1H
InChIKeyLHHQALRTJHOYCB-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.98
Rot. Bonds

About 4-tert-butyl-1,3-oxazol-2-amine;hydrochloride

4-tert-butyl-1,3-oxazol-2-amine;hydrochloride (PubChem CID 118994196) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 4-tert-butyl-1,3-oxazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-1,3-oxazol-2-amine;hydrochloride
PubChem CID118994196
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name4-tert-butyl-1,3-oxazol-2-amine;hydrochloride
SMILESCC(C)(C)c1coc(N)n1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-7(2,3)5-4-10-6(8)9-5;/h4H,1-3H3,(H2,8,9);1H
InChIKeyLHHQALRTJHOYCB-UHFFFAOYSA-N
XLogP1.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-oxazol-2-amine;hydrochloride?
The IUPAC name of 4-tert-butyl-1,3-oxazol-2-amine;hydrochloride (CID 118994196) is 4-tert-butyl-1,3-oxazol-2-amine;hydrochloride.
What is the SMILES notation for 4-tert-butyl-1,3-oxazol-2-amine;hydrochloride?
The canonical SMILES for 4-tert-butyl-1,3-oxazol-2-amine;hydrochloride is CC(C)(C)c1coc(N)n1.Cl.
What is the InChIKey of 4-tert-butyl-1,3-oxazol-2-amine;hydrochloride?
The InChIKey is LHHQALRTJHOYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-7(2,3)5-4-10-6(8)9-5;/h4H,1-3H3,(H2,8,9);1H.
What are the key properties of 4-tert-butyl-1,3-oxazol-2-amine;hydrochloride?
4-tert-butyl-1,3-oxazol-2-amine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-oxazol-2-amine;hydrochloride is sourced from PubChem (CID 118994196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).