N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide

C18H13N3O3S — CID 47772001

IUPACN-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)noc1=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H13N3O3S/c22-16(19-14-8-3-6-12-5-1-2-7-13(12)14)11-21-17(20-24-18(21)23)15-9-4-10-25-15/h1-10H,11H2,(H,19,22)
InChIKeyQQJBWQWIZVGGTB-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.36
Rot. Bonds4

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

N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 47772001) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID47772001
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)noc1=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H13N3O3S/c22-16(19-14-8-3-6-12-5-1-2-7-13(12)14)11-21-17(20-24-18(21)23)15-9-4-10-25-15/h1-10H,11H2,(H,19,22)
InChIKeyQQJBWQWIZVGGTB-UHFFFAOYSA-N
XLogP3.36
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (CID 47772001) is N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is O=C(Cn1c(-c2cccs2)noc1=O)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is QQJBWQWIZVGGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-16(19-14-8-3-6-12-5-1-2-7-13(12)14)11-21-17(20-24-18(21)23)15-9-4-10-25-15/h1-10H,11H2,(H,19,22).
What are the key properties of N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 351.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 47772001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).