3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride

C10H19ClN2O — CID 126843999

IUPAC3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride
SMILESCC(C)(C)c1cc(CCCN)no1.Cl
InChIInChI=1S/C10H18N2O.ClH/c1-10(2,3)9-7-8(12-13-9)5-4-6-11;/h7H,4-6,11H2,1-3H3;1H
InChIKeyOSZNYTLWMNQROQ-UHFFFAOYSA-N
MW218.73 g/mol
LogP2.29
Rot. Bonds3

About 3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride

3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride (PubChem CID 126843999) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride
PubChem CID126843999
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride
SMILESCC(C)(C)c1cc(CCCN)no1.Cl
InChIInChI=1S/C10H18N2O.ClH/c1-10(2,3)9-7-8(12-13-9)5-4-6-11;/h7H,4-6,11H2,1-3H3;1H
InChIKeyOSZNYTLWMNQROQ-UHFFFAOYSA-N
XLogP2.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride (CID 126843999) is 3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride is CC(C)(C)c1cc(CCCN)no1.Cl.
What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is OSZNYTLWMNQROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.ClH/c1-10(2,3)9-7-8(12-13-9)5-4-6-11;/h7H,4-6,11H2,1-3H3;1H.
What are the key properties of 3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride?
3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 218.73 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 126843999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).