N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide

C17H23N3O2 — CID 17101299

IUPACN-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCCCNC(=O)CCCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C17H23N3O2/c1-3-4-11-18-15(21)9-6-10-16-19-17(20-22-16)14-8-5-7-13(2)12-14/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H,18,21)
InChIKeyOKVIMHZQUOCFLY-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.28
Rot. Bonds8

About N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 17101299) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID17101299
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCCCNC(=O)CCCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C17H23N3O2/c1-3-4-11-18-15(21)9-6-10-16-19-17(20-22-16)14-8-5-7-13(2)12-14/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H,18,21)
InChIKeyOKVIMHZQUOCFLY-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2981927
N-(2,2-dimethylpropyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758647
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
ethyl 4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate
CID 17101301
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]butanamide
CID 131949873
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
4-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323732
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-butylpropanamide
CID 99722466
N-[3-(3-methylphenoxy)propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24525020
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 146120983

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 17101299) is N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is CCCCNC(=O)CCCc1nc(-c2cccc(C)c2)no1.
What is the InChIKey of N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is OKVIMHZQUOCFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-4-11-18-15(21)9-6-10-16-19-17(20-22-16)14-8-5-7-13(2)12-14/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H,18,21).
What are the key properties of N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 301.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 17101299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).