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

C25H26N4O4 — CID 91888385

IUPAC3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCn2cccc2-c2nc(-c3ccccc3)no2)cc1OCC
InChIInChI=1S/C25H26N4O4/c1-3-31-21-13-12-19(17-22(21)32-4-2)24(30)26-14-16-29-15-8-11-20(29)25-27-23(28-33-25)18-9-6-5-7-10-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,30)
InChIKeyMZDLREOSLITIGL-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.43
Rot. Bonds10

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

3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide (PubChem CID 91888385) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide
PubChem CID91888385
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCn2cccc2-c2nc(-c3ccccc3)no2)cc1OCC
InChIInChI=1S/C25H26N4O4/c1-3-31-21-13-12-19(17-22(21)32-4-2)24(30)26-14-16-29-15-8-11-20(29)25-27-23(28-33-25)18-9-6-5-7-10-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,30)
InChIKeyMZDLREOSLITIGL-UHFFFAOYSA-N
XLogP4.43
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 976135
CID 976135
CID 4457834
CID 4457834
CID 134369568
CID 134369568
CID 138549833
CID 138549833
CID 138549835
CID 138549835
CID 138549840
CID 138549840
CID 138549843
CID 138549843
CID 138549859
CID 138549859
CID 142556473
CID 142556473
CID 142752190
CID 142752190
CID 18286878
CID 18286878
CID 70789739
CID 70789739

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide (CID 91888385) is 3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide is CCOc1ccc(C(=O)NCCn2cccc2-c2nc(-c3ccccc3)no2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide?
The InChIKey is MZDLREOSLITIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-3-31-21-13-12-19(17-22(21)32-4-2)24(30)26-14-16-29-15-8-11-20(29)25-27-23(28-33-25)18-9-6-5-7-10-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,30).
What are the key properties of 3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide?
3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide is sourced from PubChem (CID 91888385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).