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

C23H19N3O3 — CID 1293889

IUPAC2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C23H19N3O3/c1-2-28-20-14-7-6-13-19(20)21(27)24-18-12-8-11-17(15-18)23-26-25-22(29-23)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,24,27)
InChIKeyMODYTSKTBVYVKC-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.05
Rot. Bonds6

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

2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 1293889) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID1293889
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C23H19N3O3/c1-2-28-20-14-7-6-13-19(20)21(27)24-18-12-8-11-17(15-18)23-26-25-22(29-23)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,24,27)
InChIKeyMODYTSKTBVYVKC-UHFFFAOYSA-N
XLogP5.05
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 1293889) is 2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is MODYTSKTBVYVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-2-28-20-14-7-6-13-19(20)21(27)24-18-12-8-11-17(15-18)23-26-25-22(29-23)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,24,27).
What are the key properties of 2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 385.42 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1293889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).