N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide

C18H19N3O3S — CID 86264854

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1noc(-c2ccsc2NC(=O)COc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H19N3O3S/c1-11(2)13-4-6-14(7-5-13)23-10-16(22)20-18-15(8-9-25-18)17-19-12(3)21-24-17/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyCQQXLXVFVRMGPE-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.25
Rot. Bonds6

About N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 86264854) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID86264854
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1noc(-c2ccsc2NC(=O)COc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H19N3O3S/c1-11(2)13-4-6-14(7-5-13)23-10-16(22)20-18-15(8-9-25-18)17-19-12(3)21-24-17/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyCQQXLXVFVRMGPE-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-{5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625323
N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625326
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-fluorophenoxy)acetamide
CID 76150370
2-(4-methoxyphenyl)-N-(3-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl)acetamide
CID 46868929
N-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl)-2-(o-tolyloxy)acetamide
CID 73167768
2-((2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)oxy)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)acetamide
CID 86264842
2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 86264852
N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 86264861
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-methoxybenzamide
CID 76150367
2-(2-fluorophenoxy)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)acetamide
CID 86264855
2-(2-fluorophenoxy)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)acetamide
CID 86266913
N-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 6463142

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide (CID 86264854) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide is Cc1noc(-c2ccsc2NC(=O)COc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is CQQXLXVFVRMGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11(2)13-4-6-14(7-5-13)23-10-16(22)20-18-15(8-9-25-18)17-19-12(3)21-24-17/h4-9,11H,10H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 357.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 86264854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).