N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide

C25H23N3O4 — CID 43975859

IUPACN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)o2)cc1OCC
InChIInChI=1S/C25H23N3O4/c1-3-30-21-15-14-20(16-22(21)31-4-2)24-27-28-25(32-24)26-23(29)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,26,28,29)
InChIKeyXCWJPWGUDREEFO-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.45
Rot. Bonds8

About N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide

N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide (PubChem CID 43975859) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
PubChem CID43975859
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)o2)cc1OCC
InChIInChI=1S/C25H23N3O4/c1-3-30-21-15-14-20(16-22(21)31-4-2)24-27-28-25(32-24)26-23(29)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,26,28,29)
InChIKeyXCWJPWGUDREEFO-UHFFFAOYSA-N
XLogP5.45
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922
4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821677
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 43975905
4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821630
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43975667
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 16854371
4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43975649
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4-diethoxybenzamide
CID 90603088
3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3522706
4-butoxy-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655666
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide (CID 43975859) is N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide is CCOc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)o2)cc1OCC.
What is the InChIKey of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide?
The InChIKey is XCWJPWGUDREEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-3-30-21-15-14-20(16-22(21)31-4-2)24-27-28-25(32-24)26-23(29)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,26,28,29).
What are the key properties of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide?
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide has a molecular weight of 429.48 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 43975859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).