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

C21H21N3O4 — CID 25237908

IUPACN-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1
InChIInChI=1S/C21H21N3O4/c1-13(2)20-23-21(28-24-20)15-7-9-18(10-8-15)27-12-19(26)22-17-6-4-5-16(11-17)14(3)25/h4-11,13H,12H2,1-3H3,(H,22,26)
InChIKeyZSWIGQQYGRSLAS-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.08
Rot. Bonds7

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

N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 25237908) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID25237908
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1
InChIInChI=1S/C21H21N3O4/c1-13(2)20-23-21(28-24-20)15-7-9-18(10-8-15)27-12-19(26)22-17-6-4-5-16(11-17)14(3)25/h4-11,13H,12H2,1-3H3,(H,22,26)
InChIKeyZSWIGQQYGRSLAS-UHFFFAOYSA-N
XLogP4.08
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237975
N-(3-chloro-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237929
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237925
N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237928
2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 23010469
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
N-(5-chloro-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237923
N-(3-methylbutyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238347
N-(3-ethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237863
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 100611516

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 25237908) is N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is CC(=O)c1cccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is ZSWIGQQYGRSLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13(2)20-23-21(28-24-20)15-7-9-18(10-8-15)27-12-19(26)22-17-6-4-5-16(11-17)14(3)25/h4-11,13H,12H2,1-3H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 379.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 25237908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).