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

C12H14N2O3 — CID 82290574

IUPAC[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCOc1ccc(-c2oncc2CN)cc1OC
InChIInChI=1S/C12H14N2O3/c1-15-10-4-3-8(5-11(10)16-2)12-9(6-13)7-14-17-12/h3-5,7H,6,13H2,1-2H3
InChIKeyOKHZFJIQKIETJK-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.82
Rot. Bonds4

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

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 82290574) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
PubChem CID82290574
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCOc1ccc(-c2oncc2CN)cc1OC
InChIInChI=1S/C12H14N2O3/c1-15-10-4-3-8(5-11(10)16-2)12-9(6-13)7-14-17-12/h3-5,7H,6,13H2,1-2H3
InChIKeyOKHZFJIQKIETJK-UHFFFAOYSA-N
XLogP1.82
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82289626
2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82289584
[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82295318
[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239749
4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 151726229
4-[4-(aminomethyl)-1,2-oxazol-5-yl]benzonitrile
CID 65239471
[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine
CID 82480620
4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
CID 19585869
5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82295690
2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82308142
5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
CID 13268420
[4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine
CID 117001454

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine (CID 82290574) is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine is COc1ccc(-c2oncc2CN)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is OKHZFJIQKIETJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-10-4-3-8(5-11(10)16-2)12-9(6-13)7-14-17-12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine?
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 234.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82290574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).