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

C7H13ClN2O2 — CID 21292277

IUPAC2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride
SMILESCOc1cc(C(C)(C)N)on1.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-7(2,8)5-4-6(10-3)9-11-5;/h4H,8H2,1-3H3;1H
InChIKeyYICOYPFMRIVPQK-UHFFFAOYSA-N
MW192.65 g/mol
LogP1.30
Rot. Bonds2

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

2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride (PubChem CID 21292277) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride
PubChem CID21292277
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride
SMILESCOc1cc(C(C)(C)N)on1.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-7(2,8)5-4-6(10-3)9-11-5;/h4H,8H2,1-3H3;1H
InChIKeyYICOYPFMRIVPQK-UHFFFAOYSA-N
XLogP1.30
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride (CID 21292277) is 2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride is COc1cc(C(C)(C)N)on1.Cl.
What is the InChIKey of 2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride?
The InChIKey is YICOYPFMRIVPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c1-7(2,8)5-4-6(10-3)9-11-5;/h4H,8H2,1-3H3;1H.
What are the key properties of 2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride?
2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-oxazol-5-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 21292277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).