N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C15H13N3O2S — CID 100689196

IUPACN-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(-c3cscc3C)n2)cc1
InChIInChI=1S/C15H13N3O2S/c1-9-7-21-8-13(9)15-17-14(18-20-15)11-3-5-12(6-4-11)16-10(2)19/h3-8H,1-2H3,(H,16,19)
InChIKeySGVHLECOEBCSMW-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.73
Rot. Bonds3

About N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 100689196) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID100689196
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(-c3cscc3C)n2)cc1
InChIInChI=1S/C15H13N3O2S/c1-9-7-21-8-13(9)15-17-14(18-20-15)11-3-5-12(6-4-11)16-10(2)19/h3-8H,1-2H3,(H,16,19)
InChIKeySGVHLECOEBCSMW-UHFFFAOYSA-N
XLogP3.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 79807411
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103317
N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 79807517
[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
CID 21483705
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 46265245

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 100689196) is N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(-c3cscc3C)n2)cc1.
What is the InChIKey of N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is SGVHLECOEBCSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-7-21-8-13(9)15-17-14(18-20-15)11-3-5-12(6-4-11)16-10(2)19/h3-8H,1-2H3,(H,16,19).
What are the key properties of N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 299.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 100689196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).