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

C12H16N2O — CID 105456450

IUPAC2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
SMILESCc1ccccc1C1=NOC(CCN)C1
InChIInChI=1S/C12H16N2O/c1-9-4-2-3-5-11(9)12-8-10(6-7-13)15-14-12/h2-5,10H,6-8,13H2,1H3
InChIKeyWJSCJCCYCRTEFL-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.84
Rot. Bonds3

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

2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine (PubChem CID 105456450) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
PubChem CID105456450
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
SMILESCc1ccccc1C1=NOC(CCN)C1
InChIInChI=1S/C12H16N2O/c1-9-4-2-3-5-11(9)12-8-10(6-7-13)15-14-12/h2-5,10H,6-8,13H2,1H3
InChIKeyWJSCJCCYCRTEFL-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456448
N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
CID 42816060
(5R)-5-(bromomethyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994007
N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-prop-2-enylpropanamide
CID 42816003
3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid
CID 136671941
(2S)-1-[benzyl-[[(5R)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 98629238
5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544919
1-benzyl-3-ethyl-1-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42816149
[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 95348459
3-tert-butyl-1-[(2-fluorophenyl)methyl]-1-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42816151
ethyl 1-(cyclopropylmethyl)-4-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 92592916
4-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 95849508

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine (CID 105456450) is 2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine is Cc1ccccc1C1=NOC(CCN)C1.
What is the InChIKey of 2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine?
The InChIKey is WJSCJCCYCRTEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-4-2-3-5-11(9)12-8-10(6-7-13)15-14-12/h2-5,10H,6-8,13H2,1H3.
What are the key properties of 2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine?
2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine has a molecular weight of 204.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 105456450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).