3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one

C19H19NO5 — CID 134142820

IUPAC3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one
SMILESCOc1cc(/C=C/c2cccc3oc(=O)n(C)c23)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-20-17-13(6-5-7-14(17)25-19(20)21)9-8-12-10-15(22-2)18(24-4)16(11-12)23-3/h5-11H,1-4H3/b9-8+
InChIKeyLTMRAOHJULKWRS-CMDGGOBGSA-N
MW341.36 g/mol
LogP3.33
Rot. Bonds5

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

3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one (PubChem CID 134142820) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one
PubChem CID134142820
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one
SMILESCOc1cc(/C=C/c2cccc3oc(=O)n(C)c23)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-20-17-13(6-5-7-14(17)25-19(20)21)9-8-12-10-15(22-2)18(24-4)16(11-12)23-3/h5-11H,1-4H3/b9-8+
InChIKeyLTMRAOHJULKWRS-CMDGGOBGSA-N
XLogP3.33
TPSA62.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
CID 134149491
3-methyl-6-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one
CID 54088296
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
5-bromo-4-methoxy-3-methyl-1,3-benzoxazol-2-one
CID 170334490
7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one
CID 46887465
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
CID 134133463
O-[2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] N,N-dimethylcarbamothioate
CID 71767196
(4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6039777
1,3-dimethyl-7-(111C)methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
CID 5461878
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one (CID 134142820) is 3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one is COc1cc(/C=C/c2cccc3oc(=O)n(C)c23)cc(OC)c1OC.
What is the InChIKey of 3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one?
The InChIKey is LTMRAOHJULKWRS-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H19NO5/c1-20-17-13(6-5-7-14(17)25-19(20)21)9-8-12-10-15(22-2)18(24-4)16(11-12)23-3/h5-11H,1-4H3/b9-8+.
What are the key properties of 3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one?
3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one has a molecular weight of 341.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 134142820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).