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

C16H22N2O3 — CID 66188973

IUPAC2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine
SMILESCOCc1cc(COc2c(C)cc(CCN)cc2C)no1
InChIInChI=1S/C16H22N2O3/c1-11-6-13(4-5-17)7-12(2)16(11)20-9-14-8-15(10-19-3)21-18-14/h6-8H,4-5,9-10,17H2,1-3H3
InChIKeyOETYOGQFLCSPEF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.52
Rot. Bonds7

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

2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine (PubChem CID 66188973) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine
PubChem CID66188973
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine
SMILESCOCc1cc(COc2c(C)cc(CCN)cc2C)no1
InChIInChI=1S/C16H22N2O3/c1-11-6-13(4-5-17)7-12(2)16(11)20-9-14-8-15(10-19-3)21-18-14/h6-8H,4-5,9-10,17H2,1-3H3
InChIKeyOETYOGQFLCSPEF-UHFFFAOYSA-N
XLogP2.52
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine?
The IUPAC name of 2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine (CID 66188973) is 2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine.
What is the SMILES notation for 2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine?
The canonical SMILES for 2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine is COCc1cc(COc2c(C)cc(CCN)cc2C)no1.
What is the InChIKey of 2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine?
The InChIKey is OETYOGQFLCSPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-13(4-5-17)7-12(2)16(11)20-9-14-8-15(10-19-3)21-18-14/h6-8H,4-5,9-10,17H2,1-3H3.
What are the key properties of 2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine?
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine has a molecular weight of 290.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine is sourced from PubChem (CID 66188973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).