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

C21H20N4O3 — CID 53041723

IUPAC2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1
InChIInChI=1S/C21H20N4O3/c1-13(26)22-17-9-5-14(6-10-17)11-19(27)23-18-4-2-3-16(12-18)20-24-21(28-25-20)15-7-8-15/h2-6,9-10,12,15H,7-8,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyHXGUAAOLFYAXMU-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.75
Rot. Bonds6

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

2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (PubChem CID 53041723) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
PubChem CID53041723
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1
InChIInChI=1S/C21H20N4O3/c1-13(26)22-17-9-5-14(6-10-17)11-19(27)23-18-4-2-3-16(12-18)20-24-21(28-25-20)15-7-8-15/h2-6,9-10,12,15H,7-8,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyHXGUAAOLFYAXMU-UHFFFAOYSA-N
XLogP3.75
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 53041733
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 53041779
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide
CID 53041832
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
N-[4-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53130348
5-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
CID 53057030
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71856405
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 53041803
3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122086534

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (CID 53041723) is 2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The InChIKey is HXGUAAOLFYAXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13(26)22-17-9-5-14(6-10-17)11-19(27)23-18-4-2-3-16(12-18)20-24-21(28-25-20)15-7-8-15/h2-6,9-10,12,15H,7-8,11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 53041723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).