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

C15H18N2O4 — CID 16772896

IUPAC5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine
SMILESCOc1cc(/C=C/c2noc(C)c2N)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-9-14(16)11(17-21-9)6-5-10-7-12(18-2)15(20-4)13(8-10)19-3/h5-8H,16H2,1-4H3/b6-5+
InChIKeyRDUHMFVAQYGTSD-AATRIKPKSA-N
MW290.32 g/mol
LogP2.76
Rot. Bonds5

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

5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine (PubChem CID 16772896) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine
PubChem CID16772896
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine
SMILESCOc1cc(/C=C/c2noc(C)c2N)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-9-14(16)11(17-21-9)6-5-10-7-12(18-2)15(20-4)13(8-10)19-3/h5-8H,16H2,1-4H3/b6-5+
InChIKeyRDUHMFVAQYGTSD-AATRIKPKSA-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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Related Compounds

5-methyl-3-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine
CID 16776148
5-methyl-4-nitro-3-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazole
CID 57362990
3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine
CID 57361826
2-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 19688317
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
CID 22349249
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
1-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861094
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
CID 20785899

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine?
The IUPAC name of 5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine (CID 16772896) is 5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine?
The canonical SMILES for 5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine is COc1cc(/C=C/c2noc(C)c2N)cc(OC)c1OC.
What is the InChIKey of 5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine?
The InChIKey is RDUHMFVAQYGTSD-AATRIKPKSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-14(16)11(17-21-9)6-5-10-7-12(18-2)15(20-4)13(8-10)19-3/h5-8H,16H2,1-4H3/b6-5+.
What are the key properties of 5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine?
5-methyl-3-[(E)-2-(3,4,5-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-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 16772896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).