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

C23H20FN3O4 — CID 135347303

IUPAC2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCCOc1ccc(CC)cc1C(=O)Nc1cc(-c2nnc(-c3ccco3)o2)ccc1F
InChIInChI=1S/C23H20FN3O4/c1-3-14-7-10-19(29-4-2)16(12-14)21(28)25-18-13-15(8-9-17(18)24)22-26-27-23(31-22)20-6-5-11-30-20/h5-13H,3-4H2,1-2H3,(H,25,28)
InChIKeyLQAVVMAKYPLVCX-UHFFFAOYSA-N
MW421.43 g/mol
LogP5.35
Rot. Bonds7

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

2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 135347303) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID135347303
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCCOc1ccc(CC)cc1C(=O)Nc1cc(-c2nnc(-c3ccco3)o2)ccc1F
InChIInChI=1S/C23H20FN3O4/c1-3-14-7-10-19(29-4-2)16(12-14)21(28)25-18-13-15(8-9-17(18)24)22-26-27-23(31-22)20-6-5-11-30-20/h5-13H,3-4H2,1-2H3,(H,25,28)
InChIKeyLQAVVMAKYPLVCX-UHFFFAOYSA-N
XLogP5.35
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.43
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 135347303) is 2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is CCOc1ccc(CC)cc1C(=O)Nc1cc(-c2nnc(-c3ccco3)o2)ccc1F.
What is the InChIKey of 2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is LQAVVMAKYPLVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-3-14-7-10-19(29-4-2)16(12-14)21(28)25-18-13-15(8-9-17(18)24)22-26-27-23(31-22)20-6-5-11-30-20/h5-13H,3-4H2,1-2H3,(H,25,28).
What are the key properties of 2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 421.43 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 135347303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).