5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine

C15H18N2O4 — CID 16776148

IUPAC5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine
SMILESCOc1ccc(/C=C/c2noc(C)c2N)c(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-9-13(16)11(17-21-9)7-5-10-6-8-12(18-2)15(20-4)14(10)19-3/h5-8H,16H2,1-4H3/b7-5+
InChIKeySNWLALIEGVSJMV-FNORWQNLSA-N
MW290.32 g/mol
LogP2.76
Rot. Bonds5

About 5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine

5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine (PubChem CID 16776148) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine
PubChem CID16776148
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine
SMILESCOc1ccc(/C=C/c2noc(C)c2N)c(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-9-13(16)11(17-21-9)7-5-10-6-8-12(18-2)15(20-4)14(10)19-3/h5-8H,16H2,1-4H3/b7-5+
InChIKeySNWLALIEGVSJMV-FNORWQNLSA-N
XLogP2.76
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine?
The IUPAC name of 5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine (CID 16776148) is 5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine?
The canonical SMILES for 5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine is COc1ccc(/C=C/c2noc(C)c2N)c(OC)c1OC.
What is the InChIKey of 5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine?
The InChIKey is SNWLALIEGVSJMV-FNORWQNLSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-13(16)11(17-21-9)7-5-10-6-8-12(18-2)15(20-4)14(10)19-3/h5-8H,16H2,1-4H3/b7-5+.
What are the key properties of 5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine?
5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine has a molecular weight of 290.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 16776148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).