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

C13H15N3O2S — CID 4215186

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCSc2nnc(C)o2)cc1
InChIInChI=1S/C13H15N3O2S/c1-9-3-5-11(6-4-9)14-12(17)7-8-19-13-16-15-10(2)18-13/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyPSXKVNTVLFHFQJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.81
Rot. Bonds5

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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide (PubChem CID 4215186) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
PubChem CID4215186
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCSc2nnc(C)o2)cc1
InChIInChI=1S/C13H15N3O2S/c1-9-3-5-11(6-4-9)14-12(17)7-8-19-13-16-15-10(2)18-13/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyPSXKVNTVLFHFQJ-UHFFFAOYSA-N
XLogP2.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide (CID 4215186) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCSc2nnc(C)o2)cc1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
The InChIKey is PSXKVNTVLFHFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-3-5-11(6-4-9)14-12(17)7-8-19-13-16-15-10(2)18-13/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide has a molecular weight of 277.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 4215186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).