4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide

C34H26N4O4 — CID 146239990

IUPAC4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide
SMILESCc1c(-c2nnc([C@H](Cc3ccc(-c4cc5ccccc5o4)cc3)Nc3ccc(C(N)=O)cc3)o2)oc2ccccc12
InChIInChI=1S/C34H26N4O4/c1-20-26-7-3-5-9-29(26)41-31(20)34-38-37-33(42-34)27(36-25-16-14-23(15-17-25)32(35)39)18-21-10-12-22(13-11-21)30-19-24-6-2-4-8-28(24)40-30/h2-17,19,27,36H,18H2,1H3,(H2,35,39)/t27-/m0/s1
InChIKeyPGSWQYKVSNGPHX-MHZLTWQESA-N
MW554.61 g/mol
LogP7.70
Rot. Bonds8

About 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide

4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide (PubChem CID 146239990) has the molecular formula C34H26N4O4 and a molecular weight of 554.61 g/mol. Its IUPAC name is 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide
PubChem CID146239990
Molecular FormulaC34H26N4O4
Molecular Weight554.61 g/mol
Exact Mass554.20
IUPAC Name4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide
SMILESCc1c(-c2nnc([C@H](Cc3ccc(-c4cc5ccccc5o4)cc3)Nc3ccc(C(N)=O)cc3)o2)oc2ccccc12
InChIInChI=1S/C34H26N4O4/c1-20-26-7-3-5-9-29(26)41-31(20)34-38-37-33(42-34)27(36-25-16-14-23(15-17-25)32(35)39)18-21-10-12-22(13-11-21)30-19-24-6-2-4-8-28(24)40-30/h2-17,19,27,36H,18H2,1H3,(H2,35,39)/t27-/m0/s1
InChIKeyPGSWQYKVSNGPHX-MHZLTWQESA-N
XLogP7.70
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.61
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide?
The IUPAC name of 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide (CID 146239990) is 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide.
What is the SMILES notation for 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide?
The canonical SMILES for 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide is Cc1c(-c2nnc([C@H](Cc3ccc(-c4cc5ccccc5o4)cc3)Nc3ccc(C(N)=O)cc3)o2)oc2ccccc12.
What is the InChIKey of 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide?
The InChIKey is PGSWQYKVSNGPHX-MHZLTWQESA-N. The full InChI is InChI=1S/C34H26N4O4/c1-20-26-7-3-5-9-29(26)41-31(20)34-38-37-33(42-34)27(36-25-16-14-23(15-17-25)32(35)39)18-21-10-12-22(13-11-21)30-19-24-6-2-4-8-28(24)40-30/h2-17,19,27,36H,18H2,1H3,(H2,35,39)/t27-/m0/s1.
What are the key properties of 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide?
4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide has a molecular weight of 554.61 g/mol, XLogP of 7.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-[5-(3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]amino]benzamide is sourced from PubChem (CID 146239990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).