2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide

C23H19N3O4 — CID 45032585

IUPAC2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
SMILESCOc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3)no2)cc1
InChIInChI=1S/C23H19N3O4/c1-28-18-13-11-16(12-14-18)23-25-22(26-30-23)19-9-5-6-10-20(19)29-15-21(27)24-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,27)
InChIKeyCMZRMTXDYJWNCL-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.43
Rot. Bonds7

About 2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide

2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide (PubChem CID 45032585) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
PubChem CID45032585
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
SMILESCOc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3)no2)cc1
InChIInChI=1S/C23H19N3O4/c1-28-18-13-11-16(12-14-18)23-25-22(26-30-23)19-9-5-6-10-20(19)29-15-21(27)24-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,27)
InChIKeyCMZRMTXDYJWNCL-UHFFFAOYSA-N
XLogP4.43
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
2-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-nitrophenyl)acetamide
CID 50745972
2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 45032609
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 45032694
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
2-(4-methoxyphenyl)-N-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 4912727
N-(4-methoxyphenyl)-2-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50753500
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide (CID 45032585) is 2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide is COc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3)no2)cc1.
What is the InChIKey of 2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The InChIKey is CMZRMTXDYJWNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-18-13-11-16(12-14-18)23-25-22(26-30-23)19-9-5-6-10-20(19)29-15-21(27)24-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of 2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide has a molecular weight of 401.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 45032585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).