2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine

C14H18N2O2 — CID 82049351

IUPAC2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1cc(C)c(-c2cnc(CCN)o2)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-9-6-11(17-3)7-10(2)14(9)12-8-16-13(18-12)4-5-15/h6-8H,4-5,15H2,1-3H3
InChIKeyHGTSVNKVHNMPQL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.47
Rot. Bonds4

About 2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine

2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 82049351) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID82049351
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1cc(C)c(-c2cnc(CCN)o2)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-9-6-11(17-3)7-10(2)14(9)12-8-16-13(18-12)4-5-15/h6-8H,4-5,15H2,1-3H3
InChIKeyHGTSVNKVHNMPQL-UHFFFAOYSA-N
XLogP2.47
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360064
5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049390
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049649
5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832415
3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82818945
2-[5-(2-methylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65179075
3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178870

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine (CID 82049351) is 2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine is COc1cc(C)c(-c2cnc(CCN)o2)c(C)c1.
What is the InChIKey of 2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is HGTSVNKVHNMPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-6-11(17-3)7-10(2)14(9)12-8-16-13(18-12)4-5-15/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82049351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).