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

C21H25N3O3S — CID 132661088

IUPAC2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)N(CC)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C21H25N3O3S/c1-5-16(26-17-10-9-14(3)12-15(17)4)21(25)24(6-2)13-19-22-20(23-27-19)18-8-7-11-28-18/h7-12,16H,5-6,13H2,1-4H3
InChIKeyKFRPUZHQHRFIPN-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.62
Rot. Bonds8

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

2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 132661088) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
PubChem CID132661088
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)N(CC)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C21H25N3O3S/c1-5-16(26-17-10-9-14(3)12-15(17)4)21(25)24(6-2)13-19-22-20(23-27-19)18-8-7-11-28-18/h7-12,16H,5-6,13H2,1-4H3
InChIKeyKFRPUZHQHRFIPN-UHFFFAOYSA-N
XLogP4.62
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132666684
(2R)-N-methyl-2-(3-methylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97267472
2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132658123
N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 133210565
(2R)-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 100742857
2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836537
2-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropanoic acid
CID 62820836
(2S)-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 8875213
2-(2,3-dimethylphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132659804
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,5-dimethylphenoxy)-N-methylbutanamide
CID 132664455
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-phenoxybutanamide
CID 17096205
2-(4-tert-butylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132661093

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 132661088) is 2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is CCC(Oc1ccc(C)cc1C)C(=O)N(CC)Cc1nc(-c2cccs2)no1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The InChIKey is KFRPUZHQHRFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-5-16(26-17-10-9-14(3)12-15(17)4)21(25)24(6-2)13-19-22-20(23-27-19)18-8-7-11-28-18/h7-12,16H,5-6,13H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide has a molecular weight of 399.52 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 132661088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).