N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride

C12H15ClN2O — CID 3049268

IUPACN-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-2-13-9-12-14-8-11(15-12)10-6-4-3-5-7-10;/h3-8,13H,2,9H2,1H3;1H
InChIKeyISBHFOLMKDTWCK-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.87
Rot. Bonds4

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

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride (PubChem CID 3049268) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride
PubChem CID3049268
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-2-13-9-12-14-8-11(15-12)10-6-4-3-5-7-10;/h3-8,13H,2,9H2,1H3;1H
InChIKeyISBHFOLMKDTWCK-UHFFFAOYSA-N
XLogP2.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride (CID 3049268) is N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride is CCNCc1ncc(-c2ccccc2)o1.Cl.
What is the InChIKey of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride?
The InChIKey is ISBHFOLMKDTWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c1-2-13-9-12-14-8-11(15-12)10-6-4-3-5-7-10;/h3-8,13H,2,9H2,1H3;1H.
What are the key properties of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride?
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 3049268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).