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

C21H23N3O2 — CID 2981927

IUPACN-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1cccc(-c2noc(CCCC(=O)Nc3ccc(C)cc3C)n2)c1
InChIInChI=1S/C21H23N3O2/c1-14-6-4-7-17(13-14)21-23-20(26-24-21)9-5-8-19(25)22-18-11-10-15(2)12-16(18)3/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,22,25)
InChIKeyQVKDTYFYNKAJBE-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.62
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 2981927) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID2981927
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1cccc(-c2noc(CCCC(=O)Nc3ccc(C)cc3C)n2)c1
InChIInChI=1S/C21H23N3O2/c1-14-6-4-7-17(13-14)21-23-20(26-24-21)9-5-8-19(25)22-18-11-10-15(2)12-16(18)3/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,22,25)
InChIKeyQVKDTYFYNKAJBE-UHFFFAOYSA-N
XLogP4.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)propanamide
CID 100759349
N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101299
ethyl 4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate
CID 17101301
N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 156586706
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide
CID 55684471
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
CID 46265246
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)propanamide
CID 3485886
N-(4-iodophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758297
N-(2,5-dimethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758426
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 100758550

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 2981927) is N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is Cc1cccc(-c2noc(CCCC(=O)Nc3ccc(C)cc3C)n2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is QVKDTYFYNKAJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-6-4-7-17(13-14)21-23-20(26-24-21)9-5-8-19(25)22-18-11-10-15(2)12-16(18)3/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 349.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 2981927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).