[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine

C13H16N2O — CID 82127036

IUPAC[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
SMILESCCc1ccc(-c2noc(C)c2CN)cc1
InChIInChI=1S/C13H16N2O/c1-3-10-4-6-11(7-5-10)13-12(8-14)9(2)16-15-13/h4-7H,3,8,14H2,1-2H3
InChIKeyRBNJMIKAOXWZKA-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.67
Rot. Bonds3

About [3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine

[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine (PubChem CID 82127036) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
PubChem CID82127036
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
SMILESCCc1ccc(-c2noc(C)c2CN)cc1
InChIInChI=1S/C13H16N2O/c1-3-10-4-6-11(7-5-10)13-12(8-14)9(2)16-15-13/h4-7H,3,8,14H2,1-2H3
InChIKeyRBNJMIKAOXWZKA-UHFFFAOYSA-N
XLogP2.67
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82128528
[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746651
[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82371436
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
[3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine
CID 83850903
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 146272646
[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82284727
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 82128657

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine (CID 82127036) is [3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine is CCc1ccc(-c2noc(C)c2CN)cc1.
What is the InChIKey of [3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
The InChIKey is RBNJMIKAOXWZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10-4-6-11(7-5-10)13-12(8-14)9(2)16-15-13/h4-7H,3,8,14H2,1-2H3.
What are the key properties of [3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine?
[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82127036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).