N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride

C8H15ClN2O — CID 50944280

IUPACN-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride
SMILESCNCc1cc(C(C)C)on1.Cl
InChIInChI=1S/C8H14N2O.ClH/c1-6(2)8-4-7(5-9-3)10-11-8;/h4,6,9H,5H2,1-3H3;1H
InChIKeyLIEWUOAGLSPEAP-UHFFFAOYSA-N
MW190.67 g/mol
LogP1.94
Rot. Bonds3

About N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride

N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride (PubChem CID 50944280) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride
PubChem CID50944280
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC NameN-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride
SMILESCNCc1cc(C(C)C)on1.Cl
InChIInChI=1S/C8H14N2O.ClH/c1-6(2)8-4-7(5-9-3)10-11-8;/h4,6,9H,5H2,1-3H3;1H
InChIKeyLIEWUOAGLSPEAP-UHFFFAOYSA-N
XLogP1.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride (CID 50944280) is N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride is CNCc1cc(C(C)C)on1.Cl.
What is the InChIKey of N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride?
The InChIKey is LIEWUOAGLSPEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c1-6(2)8-4-7(5-9-3)10-11-8;/h4,6,9H,5H2,1-3H3;1H.
What are the key properties of N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride?
N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 50944280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).