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

C23H18ClN3O3 — CID 3425642

IUPACN-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)cc1
InChIInChI=1S/C23H18ClN3O3/c1-29-20-12-2-15(3-13-20)14-21(28)25-19-10-6-16(7-11-19)22-26-23(30-27-22)17-4-8-18(24)9-5-17/h2-13H,14H2,1H3,(H,25,28)
InChIKeyHZIPOTHIRYOTIH-UHFFFAOYSA-N
MW419.87 g/mol
LogP5.25
Rot. Bonds6

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

N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 3425642) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID3425642
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)cc1
InChIInChI=1S/C23H18ClN3O3/c1-29-20-12-2-15(3-13-20)14-21(28)25-19-10-6-16(7-11-19)22-26-23(30-27-22)17-4-8-18(24)9-5-17/h2-13H,14H2,1H3,(H,25,28)
InChIKeyHZIPOTHIRYOTIH-UHFFFAOYSA-N
XLogP5.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 3425642) is N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)cc1.
What is the InChIKey of N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is HZIPOTHIRYOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-29-20-12-2-15(3-13-20)14-21(28)25-19-10-6-16(7-11-19)22-26-23(30-27-22)17-4-8-18(24)9-5-17/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 419.87 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3425642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).