4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol

C21H19NO5 — CID 135923992

IUPAC4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)on2)ccc1O
InChIInChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
InChIKeyMRBBFOWSPXHYQT-FCXRPNKRSA-N
MW365.39 g/mol
LogP4.44
Rot. Bonds6

About 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol

4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol (PubChem CID 135923992) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
PubChem CID135923992
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)on2)ccc1O
InChIInChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
InChIKeyMRBBFOWSPXHYQT-FCXRPNKRSA-N
XLogP4.44
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(E)-2-[5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-3-yl]ethenyl]-2-methoxyphenyl] acetate
CID 135894710
3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole
CID 46947067
3,5-bis[(E)-2-(3-methoxy-4-pentoxyphenyl)ethenyl]-1,2-oxazole
CID 46947065
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 87643228
2-methoxy-4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 91447889
3,4-dihydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one
CID 155758617
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol
CID 135453214
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
CID 173113837

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol (CID 135923992) is 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol is COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)on2)ccc1O.
What is the InChIKey of 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol?
The InChIKey is MRBBFOWSPXHYQT-FCXRPNKRSA-N. The full InChI is InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+.
What are the key properties of 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol?
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol has a molecular weight of 365.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 135923992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).