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

C16H15N3O3S — CID 86264853

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide
SMILESCc1noc(-c2ccsc2NC(=O)C(C)Oc2ccccc2)n1
InChIInChI=1S/C16H15N3O3S/c1-10(21-12-6-4-3-5-7-12)14(20)18-16-13(8-9-23-16)15-17-11(2)19-22-15/h3-10H,1-2H3,(H,18,20)
InChIKeyYSUOIAQFMZEYFD-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.51
Rot. Bonds5

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

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide (PubChem CID 86264853) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide
PubChem CID86264853
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide
SMILESCc1noc(-c2ccsc2NC(=O)C(C)Oc2ccccc2)n1
InChIInChI=1S/C16H15N3O3S/c1-10(21-12-6-4-3-5-7-12)14(20)18-16-13(8-9-23-16)15-17-11(2)19-22-15/h3-10H,1-2H3,(H,18,20)
InChIKeyYSUOIAQFMZEYFD-UHFFFAOYSA-N
XLogP3.51
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide (CID 86264853) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide is Cc1noc(-c2ccsc2NC(=O)C(C)Oc2ccccc2)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide?
The InChIKey is YSUOIAQFMZEYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10(21-12-6-4-3-5-7-12)14(20)18-16-13(8-9-23-16)15-17-11(2)19-22-15/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-phenoxypropanamide has a molecular weight of 329.38 g/mol, XLogP of 3.51, 5 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-phenoxypropanamide is sourced from PubChem (CID 86264853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).