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

C11H13ClN2O — CID 3049266

IUPACN-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride
SMILESCNCc1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-12-8-11-13-7-10(14-11)9-5-3-2-4-6-9;/h2-7,12H,8H2,1H3;1H
InChIKeySPQWGFGYBILRRK-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.48
Rot. Bonds3

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

N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride (PubChem CID 3049266) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride
PubChem CID3049266
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride
SMILESCNCc1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-12-8-11-13-7-10(14-11)9-5-3-2-4-6-9;/h2-7,12H,8H2,1H3;1H
InChIKeySPQWGFGYBILRRK-UHFFFAOYSA-N
XLogP2.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.48
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-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride (CID 3049266) is N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride is CNCc1ncc(-c2ccccc2)o1.Cl.
What is the InChIKey of N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride?
The InChIKey is SPQWGFGYBILRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c1-12-8-11-13-7-10(14-11)9-5-3-2-4-6-9;/h2-7,12H,8H2,1H3;1H.
What are the key properties of N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride?
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 2.48, 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-phenyl-1,3-oxazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 3049266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).