N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide

C17H17N3O3S — CID 47772068

IUPACN-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1c(-c2cccs2)noc1=O
InChIInChI=1S/C17H17N3O3S/c1-3-12-7-4-6-11(2)15(12)18-14(21)10-20-16(19-23-17(20)22)13-8-5-9-24-13/h4-9H,3,10H2,1-2H3,(H,18,21)
InChIKeyFQXCGCIDMPUIMK-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.07
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide

N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 47772068) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID47772068
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1c(-c2cccs2)noc1=O
InChIInChI=1S/C17H17N3O3S/c1-3-12-7-4-6-11(2)15(12)18-14(21)10-20-16(19-23-17(20)22)13-8-5-9-24-13/h4-9H,3,10H2,1-2H3,(H,18,21)
InChIKeyFQXCGCIDMPUIMK-UHFFFAOYSA-N
XLogP3.07
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772001
N-(4-acetylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 51099628
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772151
N-(2-bromo-4-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771985
4-[(2-methylphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 6624086
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 52794526
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771997
N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772048
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52751080
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 47772000
N-[(4-chlorophenyl)methyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772019
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772040

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (CID 47772068) is N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is CCc1cccc(C)c1NC(=O)Cn1c(-c2cccs2)noc1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is FQXCGCIDMPUIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-12-7-4-6-11(2)15(12)18-14(21)10-20-16(19-23-17(20)22)13-8-5-9-24-13/h4-9H,3,10H2,1-2H3,(H,18,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 47772068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).