4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol

C34H40N2O3 — CID 136773205

IUPAC4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol
SMILESCCCCCCCCCCCCOc1ccc(-c2nnc(-c3ccc(/C=C/c4ccc(O)cc4)cc3)o2)cc1
InChIInChI=1S/C34H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-26-38-32-24-20-30(21-25-32)34-36-35-33(39-34)29-18-14-27(15-19-29)12-13-28-16-22-31(37)23-17-28/h12-25,37H,2-11,26H2,1H3/b13-12+
InChIKeyHFVAZRSYBKZQEL-OUKQBFOZSA-N
MW524.71 g/mol
LogP9.58
Rot. Bonds16

About 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol

4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol (PubChem CID 136773205) has the molecular formula C34H40N2O3 and a molecular weight of 524.71 g/mol. Its IUPAC name is 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol
PubChem CID136773205
Molecular FormulaC34H40N2O3
Molecular Weight524.71 g/mol
Exact Mass524.30
IUPAC Name4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol
SMILESCCCCCCCCCCCCOc1ccc(-c2nnc(-c3ccc(/C=C/c4ccc(O)cc4)cc3)o2)cc1
InChIInChI=1S/C34H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-26-38-32-24-20-30(21-25-32)34-36-35-33(39-34)29-18-14-27(15-19-29)12-13-28-16-22-31(37)23-17-28/h12-25,37H,2-11,26H2,1H3/b13-12+
InChIKeyHFVAZRSYBKZQEL-OUKQBFOZSA-N
XLogP9.58
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol 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

2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
2-(4-octoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 139201252
5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 102420099
4-octadecoxyphenol
CID 22179059
[4-[5-[4-(4-octoxybenzoyl)oxyphenyl]-1,3,4-oxadiazol-2-yl]phenyl] 4-octoxybenzoate
CID 102447911
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
3,6-bis[(E)-2-(4-octadecoxyphenyl)ethenyl]pyridazine
CID 102406567
2-[2,5-diethoxy-4-[5-(4-octoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-octoxyphenyl)-1,3,4-oxadiazole
CID 101367535
2-(4-hexoxyphenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazole
CID 50936800

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol (CID 136773205) is 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol is CCCCCCCCCCCCOc1ccc(-c2nnc(-c3ccc(/C=C/c4ccc(O)cc4)cc3)o2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol?
The InChIKey is HFVAZRSYBKZQEL-OUKQBFOZSA-N. The full InChI is InChI=1S/C34H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-26-38-32-24-20-30(21-25-32)34-36-35-33(39-34)29-18-14-27(15-19-29)12-13-28-16-22-31(37)23-17-28/h12-25,37H,2-11,26H2,1H3/b13-12+.
What are the key properties of 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol?
4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol has a molecular weight of 524.71 g/mol, XLogP of 9.58, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol is sourced from PubChem (CID 136773205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).