N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide

C15H20N4O2 — CID 154660937

IUPACN-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide
SMILESCNCCCCc1nc(-c2ccc(C(=O)NC)cc2)no1
InChIInChI=1S/C15H20N4O2/c1-16-10-4-3-5-13-18-14(19-21-13)11-6-8-12(9-7-11)15(20)17-2/h6-9,16H,3-5,10H2,1-2H3,(H,17,20)
InChIKeyGEEBTQUXTKAIAL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.64
Rot. Bonds7

About N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide

N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 154660937) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID154660937
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide
SMILESCNCCCCc1nc(-c2ccc(C(=O)NC)cc2)no1
InChIInChI=1S/C15H20N4O2/c1-16-10-4-3-5-13-18-14(19-21-13)11-6-8-12(9-7-11)15(20)17-2/h6-9,16H,3-5,10H2,1-2H3,(H,17,20)
InChIKeyGEEBTQUXTKAIAL-UHFFFAOYSA-N
XLogP1.64
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 25219267
tert-butyl N-methyl-N-[3-[3-[4-(methylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]carbamimidate
CID 154660651
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 43658638
6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-methylpyridazine-3-carboxamide
CID 133464990
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
CID 41365420
4-tert-butyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 46300146
4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 42540179
4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 51064630
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide (CID 154660937) is N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide is CNCCCCc1nc(-c2ccc(C(=O)NC)cc2)no1.
What is the InChIKey of N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is GEEBTQUXTKAIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-16-10-4-3-5-13-18-14(19-21-13)11-6-8-12(9-7-11)15(20)17-2/h6-9,16H,3-5,10H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide?
N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 154660937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).