N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

C21H23N3O3 — CID 46263739

IUPACN-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccccc1-c1noc(CCCC(=O)Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H23N3O3/c1-14-11-15(2)13-16(12-14)22-19(25)9-6-10-20-23-21(24-27-20)17-7-4-5-8-18(17)26-3/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,22,25)
InChIKeyYHLXGHRTVAIXPN-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.32
Rot. Bonds7

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

N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 46263739) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID46263739
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccccc1-c1noc(CCCC(=O)Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H23N3O3/c1-14-11-15(2)13-16(12-14)22-19(25)9-6-10-20-23-21(24-27-20)17-7-4-5-8-18(17)26-3/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,22,25)
InChIKeyYHLXGHRTVAIXPN-UHFFFAOYSA-N
XLogP4.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
CID 17234719
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)butanamide
CID 46263765
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 156587081
N-(2-ethoxyphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160360
4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)butanamide
CID 2990172
N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160339
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 125168277
N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 135896856
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17344112

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 46263739) is N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is COc1ccccc1-c1noc(CCCC(=O)Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is YHLXGHRTVAIXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-11-15(2)13-16(12-14)22-19(25)9-6-10-20-23-21(24-27-20)17-7-4-5-8-18(17)26-3/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,22,25).
What are the key properties of N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 365.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 46263739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).