3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

C24H21N3O5 — CID 4973003

IUPAC3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc(OC)c1OC
InChIInChI=1S/C24H21N3O5/c1-29-19-13-16(14-20(30-2)21(19)31-3)23(28)25-18-12-8-7-11-17(18)24-26-22(27-32-24)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,25,28)
InChIKeyFMKJWUCUPNGBMW-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.68
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 4973003) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID4973003
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc(OC)c1OC
InChIInChI=1S/C24H21N3O5/c1-29-19-13-16(14-20(30-2)21(19)31-3)23(28)25-18-12-8-7-11-17(18)24-26-22(27-32-24)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,25,28)
InChIKeyFMKJWUCUPNGBMW-UHFFFAOYSA-N
XLogP4.68
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 4973003) is 3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is COc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is FMKJWUCUPNGBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-29-19-13-16(14-20(30-2)21(19)31-3)23(28)25-18-12-8-7-11-17(18)24-26-22(27-32-24)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,25,28).
What are the key properties of 3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 431.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 4973003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).