4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol

C22H20N2O5 — CID 135420907

IUPAC4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
SMILESCOc1cc(-c2nc(/C=C3\C(C)=Nc4ccccc43)c(O)o2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O5/c1-12-15(14-7-5-6-8-16(14)23-12)11-17-22(25)29-21(24-17)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,25H,1-4H3/b15-11+
InChIKeyWTMVGWUWKLICRU-RVDMUPIBSA-N
MW392.41 g/mol
LogP4.72
Rot. Bonds5

About 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol

4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol (PubChem CID 135420907) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
PubChem CID135420907
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
SMILESCOc1cc(-c2nc(/C=C3\C(C)=Nc4ccccc43)c(O)o2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O5/c1-12-15(14-7-5-6-8-16(14)23-12)11-17-22(25)29-21(24-17)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,25H,1-4H3/b15-11+
InChIKeyWTMVGWUWKLICRU-RVDMUPIBSA-N
XLogP4.72
TPSA86.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol (CID 135420907) is 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol is COc1cc(-c2nc(/C=C3\C(C)=Nc4ccccc43)c(O)o2)cc(OC)c1OC.
What is the InChIKey of 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The InChIKey is WTMVGWUWKLICRU-RVDMUPIBSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-12-15(14-7-5-6-8-16(14)23-12)11-17-22(25)29-21(24-17)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,25H,1-4H3/b15-11+.
What are the key properties of 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol has a molecular weight of 392.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 135420907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).