2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

C18H23N3O3 — CID 75524613

IUPAC2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCC(=O)CCCCCCc1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C18H23N3O3/c1-14(22)9-5-2-3-8-12-18-20-16(21-24-18)13-17(23)19-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-13H2,1H3,(H,19,23)
InChIKeyJSPAZLNNUWYOHB-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.33
Rot. Bonds10

About 2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (PubChem CID 75524613) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
PubChem CID75524613
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCC(=O)CCCCCCc1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C18H23N3O3/c1-14(22)9-5-2-3-8-12-18-20-16(21-24-18)13-17(23)19-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-13H2,1H3,(H,19,23)
InChIKeyJSPAZLNNUWYOHB-UHFFFAOYSA-N
XLogP3.33
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
8-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]octan-2-one
CID 75510426
2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838525
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 167849389
3-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 2561661
N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872

Frequently Asked Questions

What is the IUPAC name of 2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (CID 75524613) is 2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is CC(=O)CCCCCCc1nc(CC(=O)Nc2ccccc2)no1.
What is the InChIKey of 2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The InChIKey is JSPAZLNNUWYOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14(22)9-5-2-3-8-12-18-20-16(21-24-18)13-17(23)19-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-13H2,1H3,(H,19,23).
What are the key properties of 2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide has a molecular weight of 329.40 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(7-oxooctyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 75524613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).