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

C12H16N2O — CID 84672465

IUPAC2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(C2CN=C(CCN)O2)cc1
InChIInChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)11-8-14-12(15-11)6-7-13/h2-5,11H,6-8,13H2,1H3
InChIKeyDPUUFYGLJZMFFG-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.81
Rot. Bonds3

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

2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (PubChem CID 84672465) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
PubChem CID84672465
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(C2CN=C(CCN)O2)cc1
InChIInChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)11-8-14-12(15-11)6-7-13/h2-5,11H,6-8,13H2,1H3
InChIKeyDPUUFYGLJZMFFG-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (CID 84672465) is 2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is Cc1ccc(C2CN=C(CCN)O2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The InChIKey is DPUUFYGLJZMFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)11-8-14-12(15-11)6-7-13/h2-5,11H,6-8,13H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
2-[5-(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-[5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 84672465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).