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

C20H23N3O3S — CID 132658123

IUPAC2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C20H23N3O3S/c1-5-16(25-15-9-8-13(2)14(3)11-15)20(24)23(4)12-18-21-19(22-26-18)17-7-6-10-27-17/h6-11,16H,5,12H2,1-4H3
InChIKeyIAMKGFSWWWMUCI-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.23
Rot. Bonds7

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

2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 132658123) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
PubChem CID132658123
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C20H23N3O3S/c1-5-16(25-15-9-8-13(2)14(3)11-15)20(24)23(4)12-18-21-19(22-26-18)17-7-6-10-27-17/h6-11,16H,5,12H2,1-4H3
InChIKeyIAMKGFSWWWMUCI-UHFFFAOYSA-N
XLogP4.23
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide with MolForge

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Related Compounds

(2R)-N-methyl-2-(3-methylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97267472
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenoxy)-N-methylbutanamide
CID 132671916
2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132661088
2-(4-tert-butylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132661093
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)-N-methylbutanamide
CID 132672307
N-methyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132654741
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 84860842
N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132666684
(2S)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxybutanamide
CID 8875217
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(2-methylphenoxy)butanamide
CID 132660175
2-(3,4-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 92801393
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132660166

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 132658123) is 2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The InChIKey is IAMKGFSWWWMUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-5-16(25-15-9-8-13(2)14(3)11-15)20(24)23(4)12-18-21-19(22-26-18)17-7-6-10-27-17/h6-11,16H,5,12H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide has a molecular weight of 385.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 132658123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).