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

C24H21N3O3 — CID 1026625

IUPAC3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)c1
InChIInChI=1S/C24H21N3O3/c1-3-29-21-9-5-6-18(15-21)22(28)25-20-8-4-7-19(14-20)24-27-26-23(30-24)17-12-10-16(2)11-13-17/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyJKZNFLPDNPKIKU-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.36
Rot. Bonds6

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

3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 1026625) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID1026625
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)c1
InChIInChI=1S/C24H21N3O3/c1-3-29-21-9-5-6-18(15-21)22(28)25-20-8-4-7-19(14-20)24-27-26-23(30-24)17-12-10-16(2)11-13-17/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyJKZNFLPDNPKIKU-UHFFFAOYSA-N
XLogP5.36
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-(2-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093462
N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 1231059
3-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1311459
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
N1-{2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-(tert-butyl)benzamide
CID 2799995
N-(2-Methoxy-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656273
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-[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-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 1026625) is 3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is CCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)c1.
What is the InChIKey of 3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is JKZNFLPDNPKIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-3-29-21-9-5-6-18(15-21)22(28)25-20-8-4-7-19(14-20)24-27-26-23(30-24)17-12-10-16(2)11-13-17/h4-15H,3H2,1-2H3,(H,25,28).
What are the key properties of 3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 1026625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).