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

C23H19N3O4 — CID 5297584

IUPAC3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3cccc(OC)c3)o2)c1
InChIInChI=1S/C23H19N3O4/c1-28-17-9-5-7-15(13-17)21(27)24-20-12-4-3-11-19(20)23-26-25-22(30-23)16-8-6-10-18(14-16)29-2/h3-14H,1-2H3,(H,24,27)
InChIKeyAYCASLARPRSPKO-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.67
Rot. Bonds6

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

3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 5297584) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID5297584
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3cccc(OC)c3)o2)c1
InChIInChI=1S/C23H19N3O4/c1-28-17-9-5-7-15(13-17)21(27)24-20-12-4-3-11-19(20)23-26-25-22(30-23)16-8-6-10-18(14-16)29-2/h3-14H,1-2H3,(H,24,27)
InChIKeyAYCASLARPRSPKO-UHFFFAOYSA-N
XLogP4.67
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10135552
2-(3-Methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
CID 2799963
2-((5-(3-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1206453
3-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1311459
N1-{2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-(tert-butyl)benzamide
CID 2799995
3-ethoxy-N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}benzamide
CID 1026625
3-methoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1230972
2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1293889
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1294322
2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1301263
2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1311013
2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1314628

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 5297584) is 3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is COc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3cccc(OC)c3)o2)c1.
What is the InChIKey of 3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is AYCASLARPRSPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-17-9-5-7-15(13-17)21(27)24-20-12-4-3-11-19(20)23-26-25-22(30-23)16-8-6-10-18(14-16)29-2/h3-14H,1-2H3,(H,24,27).
What are the key properties of 3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 401.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 5297584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).