4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide

C20H20N4O4 — CID 50745875

IUPAC4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide
SMILESCC(C)c1noc(-c2ccccc2OCC(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C20H20N4O4/c1-12(2)19-23-20(28-24-19)15-5-3-4-6-16(15)27-11-17(25)22-14-9-7-13(8-10-14)18(21)26/h3-10,12H,11H2,1-2H3,(H2,21,26)(H,22,25)
InChIKeyCQKRYVIHOAKWHH-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.98
Rot. Bonds7

About 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide

4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide (PubChem CID 50745875) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide
PubChem CID50745875
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide
SMILESCC(C)c1noc(-c2ccccc2OCC(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C20H20N4O4/c1-12(2)19-23-20(28-24-19)15-5-3-4-6-16(15)27-11-17(25)22-14-9-7-13(8-10-14)18(21)26/h3-10,12H,11H2,1-2H3,(H2,21,26)(H,22,25)
InChIKeyCQKRYVIHOAKWHH-UHFFFAOYSA-N
XLogP2.98
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzoate
CID 50745863
N-(3,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745916
N-(2-methoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745967
N-(2,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745776
N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745915
N-cyclohexyl-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745834
N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745941
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746040
4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032585

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide (CID 50745875) is 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide is CC(C)c1noc(-c2ccccc2OCC(=O)Nc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide?
The InChIKey is CQKRYVIHOAKWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12(2)19-23-20(28-24-19)15-5-3-4-6-16(15)27-11-17(25)22-14-9-7-13(8-10-14)18(21)26/h3-10,12H,11H2,1-2H3,(H2,21,26)(H,22,25).
What are the key properties of 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide?
4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide has a molecular weight of 380.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 50745875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).