4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine

C16H20N2O2 — CID 117433886

IUPAC4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
SMILESCc1cc(OCC2CCC2)c(-c2cnoc2N)cc1C
InChIInChI=1S/C16H20N2O2/c1-10-6-13(14-8-18-20-16(14)17)15(7-11(10)2)19-9-12-4-3-5-12/h6-8,12H,3-5,9,17H2,1-2H3
InChIKeyAAHSCPCAAQXGLU-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.72
Rot. Bonds4

About 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine

4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine (PubChem CID 117433886) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
PubChem CID117433886
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
SMILESCc1cc(OCC2CCC2)c(-c2cnoc2N)cc1C
InChIInChI=1S/C16H20N2O2/c1-10-6-13(14-8-18-20-16(14)17)15(7-11(10)2)19-9-12-4-3-5-12/h6-8,12H,3-5,9,17H2,1-2H3
InChIKeyAAHSCPCAAQXGLU-UHFFFAOYSA-N
XLogP3.72
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine
CID 117475333
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117404879
2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
CID 84686875
4-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117399562
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine
CID 117408754
5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine
CID 117431564
[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
CID 117436607
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile
CID 84792905
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
CID 117472199
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117415272

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine (CID 117433886) is 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine is Cc1cc(OCC2CCC2)c(-c2cnoc2N)cc1C.
What is the InChIKey of 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine?
The InChIKey is AAHSCPCAAQXGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-6-13(14-8-18-20-16(14)17)15(7-11(10)2)19-9-12-4-3-5-12/h6-8,12H,3-5,9,17H2,1-2H3.
What are the key properties of 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine?
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine has a molecular weight of 272.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117433886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).