N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide

C24H21N3O4 — CID 53103323

IUPACN-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
SMILESCCOc1ccc(-c2nc(-c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)no2)cc1
InChIInChI=1S/C24H21N3O4/c1-3-29-20-10-6-18(7-11-20)24-26-23(27-31-24)17-4-12-21(13-5-17)30-22-14-8-19(9-15-22)25-16(2)28/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyLYZLLHDMXRKSHG-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.55
Rot. Bonds7

About N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide

N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide (PubChem CID 53103323) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
PubChem CID53103323
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
SMILESCCOc1ccc(-c2nc(-c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)no2)cc1
InChIInChI=1S/C24H21N3O4/c1-3-29-20-10-6-18(7-11-20)24-26-23(27-31-24)17-4-12-21(13-5-17)30-22-14-8-19(9-15-22)25-16(2)28/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyLYZLLHDMXRKSHG-UHFFFAOYSA-N
XLogP5.55
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103317
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
N-[4-[4-[5-(4-cyano-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103342
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
N-[4-[4-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103325
N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53103254
1-[3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778295
5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382902
1-butan-2-yl-3-[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778382

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide (CID 53103323) is N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide is CCOc1ccc(-c2nc(-c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)no2)cc1.
What is the InChIKey of N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
The InChIKey is LYZLLHDMXRKSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-3-29-20-10-6-18(7-11-20)24-26-23(27-31-24)17-4-12-21(13-5-17)30-22-14-8-19(9-15-22)25-16(2)28/h4-15H,3H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide?
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 53103323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).