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

C20H21N3O2 — CID 39866205

IUPAC3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
SMILESCc1ccc(-c2noc(-c3ccccc3NC(=O)CC(C)C)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-13(2)12-18(24)21-17-7-5-4-6-16(17)20-22-19(23-25-20)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyADASTKLBXIAUSI-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.70
Rot. Bonds5

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

3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide (PubChem CID 39866205) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
PubChem CID39866205
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
SMILESCc1ccc(-c2noc(-c3ccccc3NC(=O)CC(C)C)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-13(2)12-18(24)21-17-7-5-4-6-16(17)20-22-19(23-25-20)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyADASTKLBXIAUSI-UHFFFAOYSA-N
XLogP4.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866411
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
(2R)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866676
(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866674
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
(2R)-2-(2-fluorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866682
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 39867097
4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 30333479
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036
2-(3-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 20896070
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide (CID 39866205) is 3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide is Cc1ccc(-c2noc(-c3ccccc3NC(=O)CC(C)C)n2)cc1.
What is the InChIKey of 3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide?
The InChIKey is ADASTKLBXIAUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(2)12-18(24)21-17-7-5-4-6-16(17)20-22-19(23-25-20)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide?
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide has a molecular weight of 335.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide is sourced from PubChem (CID 39866205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).