3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one

C19H19NO5 — CID 134141133

IUPAC3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one
SMILESCOc1cc(/C=C\c2cccc3c2oc(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-20-14-7-5-6-13(17(14)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-
InChIKeyKWEWQSSTCAHEQJ-HJWRWDBZSA-N
MW341.36 g/mol
LogP3.33
Rot. Bonds5

About 3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one

3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one (PubChem CID 134141133) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one
PubChem CID134141133
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one
SMILESCOc1cc(/C=C\c2cccc3c2oc(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-20-14-7-5-6-13(17(14)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-
InChIKeyKWEWQSSTCAHEQJ-HJWRWDBZSA-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

3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one
CID 851216
5-Methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 851217
5-Methyl-3-[3-(2-methylphenoxy)propyl]-1,3-benzoxazol-2-one
CID 2130277
5-Methyl-3-(3-m-tolyloxy-propyl)-3H-benzooxazol-2-one
CID 2130278
3-(2-ethoxybenzyl)-5-methyl-1,3-benzoxazol-2(3H)-one
CID 851212
3-(4-Isopropoxy-3-methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 647474
3-(4-Ethoxy-3-methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 648088
3-[3-methoxy-4-(pentyloxy)benzyl]-5-methyl-1,3-benzoxazol-2(3H)-one
CID 5182862
5-methyl-3-[2-(pentyloxy)benzyl]-1,3-benzoxazol-2(3H)-one
CID 7456627
5-(3-amino-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-3H-1,3-oxazol-2-one
CID 44335076
7-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
CID 134136721

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one (CID 134141133) is 3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one is COc1cc(/C=C\c2cccc3c2oc(=O)n3C)cc(OC)c1OC.
What is the InChIKey of 3-methyl-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one?
The InChIKey is KWEWQSSTCAHEQJ-HJWRWDBZSA-N. The full InChI is InChI=1S/C19H19NO5/c1-20-14-7-5-6-13(17(14)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-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one?
3-methyl-7-[(Z)-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-7-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 134141133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).