2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine

C14H18N2O3 — CID 94693410

IUPAC2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
SMILESCOc1ccc(OC)c(-c2nc(C)oc2CCN)c1
InChIInChI=1S/C14H18N2O3/c1-9-16-14(13(19-9)6-7-15)11-8-10(17-2)4-5-12(11)18-3/h4-5,8H,6-7,15H2,1-3H3
InChIKeyKBSUFTUULDOIQS-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.17
Rot. Bonds5

About 2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine

2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine (PubChem CID 94693410) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
PubChem CID94693410
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
SMILESCOc1ccc(OC)c(-c2nc(C)oc2CCN)c1
InChIInChI=1S/C14H18N2O3/c1-9-16-14(13(19-9)6-7-15)11-8-10(17-2)4-5-12(11)18-3/h4-5,8H,6-7,15H2,1-3H3
InChIKeyKBSUFTUULDOIQS-UHFFFAOYSA-N
XLogP2.17
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82133922
2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82135165
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
CID 137354597
5-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidin-4-amine
CID 82301068
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82129199
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine
CID 137354599
2-(2,7-dimethoxynaphthalen-1-yl)ethanamine
CID 10399005

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine (CID 94693410) is 2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine is COc1ccc(OC)c(-c2nc(C)oc2CCN)c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
The InChIKey is KBSUFTUULDOIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-16-14(13(19-9)6-7-15)11-8-10(17-2)4-5-12(11)18-3/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of 2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine?
2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine has a molecular weight of 262.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 94693410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).