5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine

C16H22N2O2 — CID 66200265

IUPAC5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(CCc2onc(N)c2CC(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)10-14-15(20-18-16(14)17)9-6-12-4-7-13(19-3)8-5-12/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,17,18)
InChIKeyIVBJCFOHXJQSEG-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.25
Rot. Bonds6

About 5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine

5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66200265) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66200265
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(CCc2onc(N)c2CC(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)10-14-15(20-18-16(14)17)9-6-12-4-7-13(19-3)8-5-12/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,17,18)
InChIKeyIVBJCFOHXJQSEG-UHFFFAOYSA-N
XLogP3.25
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325608
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61326237
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61324231
3-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115395643
3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole
CID 143910181
2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile
CID 25179420
4-(4-methoxyphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)butan-2-amine
CID 54877906
4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198552
5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine
CID 142789376
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199671

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66200265) is 5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine is COc1ccc(CCc2onc(N)c2CC(C)C)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is IVBJCFOHXJQSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)10-14-15(20-18-16(14)17)9-6-12-4-7-13(19-3)8-5-12/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,17,18).
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine?
5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 274.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).