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

C17H18N4O3S — CID 23613878

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)Nc3nc(C)cs3)n2)cc1
InChIInChI=1S/C17H18N4O3S/c1-11-10-25-17(18-11)19-14(22)4-3-5-15-20-16(21-24-15)12-6-8-13(23-2)9-7-12/h6-10H,3-5H2,1-2H3,(H,18,19,22)
InChIKeyMGWYKKMIAPDORG-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.47
Rot. Bonds7

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

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 23613878) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID23613878
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)Nc3nc(C)cs3)n2)cc1
InChIInChI=1S/C17H18N4O3S/c1-11-10-25-17(18-11)19-14(22)4-3-5-15-20-16(21-24-15)12-6-8-13(23-2)9-7-12/h6-10H,3-5H2,1-2H3,(H,18,19,22)
InChIKeyMGWYKKMIAPDORG-UHFFFAOYSA-N
XLogP3.47
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55649839
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 16619188
methyl 4-[2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55651520
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 96559554
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 71296571
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-2-pyridinyl)butanamide
CID 55650824
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160339
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butanamide
CID 46460562
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 37002957
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 23613878) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide is COc1ccc(-c2noc(CCCC(=O)Nc3nc(C)cs3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is MGWYKKMIAPDORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-10-25-17(18-11)19-14(22)4-3-5-15-20-16(21-24-15)12-6-8-13(23-2)9-7-12/h6-10H,3-5H2,1-2H3,(H,18,19,22).
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 358.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 23613878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).