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

C12H16N2O — CID 84672468

IUPAC2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(C2COC(CCN)=N2)cc1
InChIInChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)11-8-15-12(14-11)6-7-13/h2-5,11H,6-8,13H2,1H3
InChIKeyMVCORPVDFJKONG-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.81
Rot. Bonds3

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

2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (PubChem CID 84672468) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
PubChem CID84672468
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(C2COC(CCN)=N2)cc1
InChIInChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)11-8-15-12(14-11)6-7-13/h2-5,11H,6-8,13H2,1H3
InChIKeyMVCORPVDFJKONG-UHFFFAOYSA-N
XLogP1.81
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
2-Methoxy-1-phenylethan-1-amine
CID 11105539
2-Methoxy-1-phenylethan-1-amine hydrochloride
CID 19693359
(R)-2-Methoxy-1-phenylethanamine hydrochloride
CID 66589172
(1S)-2-methoxy-1-phenylethan-1-amine hydrochloride
CID 70182818
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
(1S)-2-[(2-methylpropan-2-yl)oxy]-1-phenylethanamine;hydrochloride
CID 177801062
(1R)-2-[(2-methylpropan-2-yl)oxy]-1-phenylethanamine;hydrochloride
CID 177801065
2-(Tert-butoxy)-1-phenylethan-1-amine hydrochloride
CID 177801132
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
(2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile
CID 10965880
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (CID 84672468) is 2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is Cc1ccc(C2COC(CCN)=N2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The InChIKey is MVCORPVDFJKONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)11-8-15-12(14-11)6-7-13/h2-5,11H,6-8,13H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine has a molecular weight of 204.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 84672468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).