2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride

C10H19ClN2O2 — CID 68825135

IUPAC2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride
SMILESCCC(N)C(O)c1cc(C(C)C)on1.Cl
InChIInChI=1S/C10H18N2O2.ClH/c1-4-7(11)10(13)8-5-9(6(2)3)14-12-8;/h5-7,10,13H,4,11H2,1-3H3;1H
InChIKeyJTHDLUOYOIIZCF-UHFFFAOYSA-N
MW234.73 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride

2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride (PubChem CID 68825135) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride
PubChem CID68825135
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride
SMILESCCC(N)C(O)c1cc(C(C)C)on1.Cl
InChIInChI=1S/C10H18N2O2.ClH/c1-4-7(11)10(13)8-5-9(6(2)3)14-12-8;/h5-7,10,13H,4,11H2,1-3H3;1H
InChIKeyJTHDLUOYOIIZCF-UHFFFAOYSA-N
XLogP1.99
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride?
The IUPAC name of 2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride (CID 68825135) is 2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride is CCC(N)C(O)c1cc(C(C)C)on1.Cl.
What is the InChIKey of 2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride?
The InChIKey is JTHDLUOYOIIZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.ClH/c1-4-7(11)10(13)8-5-9(6(2)3)14-12-8;/h5-7,10,13H,4,11H2,1-3H3;1H.
What are the key properties of 2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride?
2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride has a molecular weight of 234.73 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol;hydrochloride is sourced from PubChem (CID 68825135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).