N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

C17H23N3O3 — CID 60620086

IUPACN-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCCCCCCNC(=O)Cn1c(-c2ccccc2C)noc1=O
InChIInChI=1S/C17H23N3O3/c1-3-4-5-8-11-18-15(21)12-20-16(19-23-17(20)22)14-10-7-6-9-13(14)2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,21)
InChIKeyFLQZEJHFEQCCFW-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.51
Rot. Bonds8

About N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (PubChem CID 60620086) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
PubChem CID60620086
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCCCCCCNC(=O)Cn1c(-c2ccccc2C)noc1=O
InChIInChI=1S/C17H23N3O3/c1-3-4-5-8-11-18-15(21)12-20-16(19-23-17(20)22)14-10-7-6-9-13(14)2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,21)
InChIKeyFLQZEJHFEQCCFW-UHFFFAOYSA-N
XLogP2.51
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.51
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-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one
CID 52848486
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110323644
2-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-tetradecylacetamide
CID 53342893
N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772048
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
N-hexyl-2-methylbenzamide
CID 3017102
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The IUPAC name of N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (CID 60620086) is N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.
What is the SMILES notation for N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The canonical SMILES for N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is CCCCCCNC(=O)Cn1c(-c2ccccc2C)noc1=O.
What is the InChIKey of N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The InChIKey is FLQZEJHFEQCCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-4-5-8-11-18-15(21)12-20-16(19-23-17(20)22)14-10-7-6-9-13(14)2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,21).
What are the key properties of N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is sourced from PubChem (CID 60620086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).