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

C18H19N3O3S — CID 132653876

IUPAC2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C18H19N3O3S/c1-11-7-12(2)9-14(8-11)23-13(3)18(22)19-10-16-20-17(21-24-16)15-5-4-6-25-15/h4-9,13H,10H2,1-3H3,(H,19,22)
InChIKeyOBEGRYBAQOAMGC-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.50
Rot. Bonds6

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

2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 132653876) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID132653876
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C18H19N3O3S/c1-11-7-12(2)9-14(8-11)23-13(3)18(22)19-10-16-20-17(21-24-16)15-5-4-6-25-15/h4-9,13H,10H2,1-3H3,(H,19,22)
InChIKeyOBEGRYBAQOAMGC-UHFFFAOYSA-N
XLogP3.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132652415
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 2992810
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylphenoxy)propanamide
CID 8894845
1-(3,5-dimethylphenyl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiourea
CID 95161788
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 7393230
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267394
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 92801395
2-(dimethylamino)-2-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 110632070
2-(3,4-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 92801393
2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27262020
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylphenoxy)propanamide
CID 132660664
2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 110354848

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 132653876) is 2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is Cc1cc(C)cc(OC(C)C(=O)NCc2nc(-c3cccs3)no2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is OBEGRYBAQOAMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-7-12(2)9-14(8-11)23-13(3)18(22)19-10-16-20-17(21-24-16)15-5-4-6-25-15/h4-9,13H,10H2,1-3H3,(H,19,22).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 357.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 132653876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).