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

C19H15N3O2S — CID 46869074

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide
SMILESCc1noc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n1
InChIInChI=1S/C19H15N3O2S/c1-12-20-19(24-22-12)18-16(9-10-25-18)21-17(23)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H,21,23)
InChIKeyOICBMTSZGYFITJ-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.44
Rot. Bonds4

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

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide (PubChem CID 46869074) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide
PubChem CID46869074
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide
SMILESCc1noc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n1
InChIInChI=1S/C19H15N3O2S/c1-12-20-19(24-22-12)18-16(9-10-25-18)21-17(23)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H,21,23)
InChIKeyOICBMTSZGYFITJ-UHFFFAOYSA-N
XLogP4.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide (CID 46869074) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide is Cc1noc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is OICBMTSZGYFITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-20-19(24-22-12)18-16(9-10-25-18)21-17(23)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 349.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 46869074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).