2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine

C13H18N2O — CID 115062125

IUPAC2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(CC2COC(CCN)=N2)cc1
InChIInChI=1S/C13H18N2O/c1-10-2-4-11(5-3-10)8-12-9-16-13(15-12)6-7-14/h2-5,12H,6-9,14H2,1H3
InChIKeyPSEAFIBDTSAJSV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.68
Rot. Bonds4

About 2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine

2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (PubChem CID 115062125) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
PubChem CID115062125
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(CC2COC(CCN)=N2)cc1
InChIInChI=1S/C13H18N2O/c1-10-2-4-11(5-3-10)8-12-9-16-13(15-12)6-7-14/h2-5,12H,6-9,14H2,1H3
InChIKeyPSEAFIBDTSAJSV-UHFFFAOYSA-N
XLogP1.68
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (CID 115062125) is 2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is Cc1ccc(CC2COC(CCN)=N2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The InChIKey is PSEAFIBDTSAJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-2-4-11(5-3-10)8-12-9-16-13(15-12)6-7-14/h2-5,12H,6-9,14H2,1H3.
What are the key properties of 2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine has a molecular weight of 218.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 115062125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).