[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine

C12H14N2O3 — CID 82083022

IUPAC[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
SMILESCOc1cccc(OC)c1-c1ncc(CN)o1
InChIInChI=1S/C12H14N2O3/c1-15-9-4-3-5-10(16-2)11(9)12-14-7-8(6-13)17-12/h3-5,7H,6,13H2,1-2H3
InChIKeySCJYEOOZOCURQL-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.82
Rot. Bonds4

About [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine

[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine (PubChem CID 82083022) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
PubChem CID82083022
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
SMILESCOc1cccc(OC)c1-c1ncc(CN)o1
InChIInChI=1S/C12H14N2O3/c1-15-9-4-3-5-10(16-2)11(9)12-14-7-8(6-13)17-12/h3-5,7H,6,13H2,1-2H3
InChIKeySCJYEOOZOCURQL-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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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine (CID 82083022) is [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine is COc1cccc(OC)c1-c1ncc(CN)o1.
What is the InChIKey of [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is SCJYEOOZOCURQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-9-4-3-5-10(16-2)11(9)12-14-7-8(6-13)17-12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine?
[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-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 [2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 82083022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).