2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C16H19N3O3 — CID 126808417

IUPAC2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCCOC1CC(c2nc(-c3ccc(CC(N)=O)cc3)no2)C1
InChIInChI=1S/C16H19N3O3/c1-2-21-13-8-12(9-13)16-18-15(19-22-16)11-5-3-10(4-6-11)7-14(17)20/h3-6,12-13H,2,7-9H2,1H3,(H2,17,20)
InChIKeyCPJXFRMXWLFQPM-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.05
Rot. Bonds6

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

2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 126808417) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID126808417
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCCOC1CC(c2nc(-c3ccc(CC(N)=O)cc3)no2)C1
InChIInChI=1S/C16H19N3O3/c1-2-21-13-8-12(9-13)16-18-15(19-22-16)11-5-3-10(4-6-11)7-14(17)20/h3-6,12-13H,2,7-9H2,1H3,(H2,17,20)
InChIKeyCPJXFRMXWLFQPM-UHFFFAOYSA-N
XLogP2.05
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
[(3R)-3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-ium-1-ylidene]methanediamine
CID 154661021
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
1-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75527839
N-[4-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53130348
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
3-(4-ethylphenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104971418
(4-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051394
cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323133
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethenamine
CID 154661036
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 126808417) is 2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CCOC1CC(c2nc(-c3ccc(CC(N)=O)cc3)no2)C1.
What is the InChIKey of 2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is CPJXFRMXWLFQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-21-13-8-12(9-13)16-18-15(19-22-16)11-5-3-10(4-6-11)7-14(17)20/h3-6,12-13H,2,7-9H2,1H3,(H2,17,20).
What are the key properties of 2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3-ethoxycyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 126808417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).