N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide

C15H19N3O2 — CID 71377168

IUPACN-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H19N3O2/c1-10(2)9-13(16-11(3)19)15-17-14(18-20-15)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyNIYOSZUZUHGWDJ-ZDUSSCGKSA-N
MW273.34 g/mol
LogP2.96
Rot. Bonds5

About N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide

N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide (PubChem CID 71377168) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
PubChem CID71377168
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H19N3O2/c1-10(2)9-13(16-11(3)19)15-17-14(18-20-15)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyNIYOSZUZUHGWDJ-ZDUSSCGKSA-N
XLogP2.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
CID 72883781
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]-4-methylbenzamide
CID 51064975
4-tert-butyl-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]benzamide
CID 95384522
4-tert-butyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]benzamide
CID 95384523
2,2-dimethyl-N-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 7449710
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]pyrazine-2-carboxylic acid
CID 95858995
N-[(1S)-1-[3-(4-acetylphenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 122581632
1-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylurea
CID 97334991
(2S,3S)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 135681453
(2R,3S)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10237962
N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95788948

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide?
The IUPAC name of N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide (CID 71377168) is N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide?
The canonical SMILES for N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide is CC(=O)N[C@@H](CC(C)C)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide?
The InChIKey is NIYOSZUZUHGWDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)9-13(16-11(3)19)15-17-14(18-20-15)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,16,19)/t13-/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide?
N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide is sourced from PubChem (CID 71377168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).