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

C25H23N3O4 — CID 3236909

IUPACN-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)no1
InChIInChI=1S/C25H23N3O4/c1-3-31-22-7-5-4-6-21(22)25-27-24(28-32-25)18-10-12-19(13-11-18)26-23(29)16-17-8-14-20(30-2)15-9-17/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKeyKSXUGTPFTNMDQF-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.99
Rot. Bonds8

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

N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 3236909) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID3236909
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)no1
InChIInChI=1S/C25H23N3O4/c1-3-31-22-7-5-4-6-21(22)25-27-24(28-32-25)18-10-12-19(13-11-18)26-23(29)16-17-8-14-20(30-2)15-9-17/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKeyKSXUGTPFTNMDQF-UHFFFAOYSA-N
XLogP4.99
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 3236909) is N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide is CCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)no1.
What is the InChIKey of N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is KSXUGTPFTNMDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-3-31-22-7-5-4-6-21(22)25-27-24(28-32-25)18-10-12-19(13-11-18)26-23(29)16-17-8-14-20(30-2)15-9-17/h4-15H,3,16H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3236909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).