5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

C16H11N3OS — CID 62717589

IUPAC5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESNc1ccc(-c2nc(-c3cccc4ccccc34)no2)s1
InChIInChI=1S/C16H11N3OS/c17-14-9-8-13(21-14)16-18-15(19-20-16)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,17H2
InChIKeyBTFZXHSQIHMAON-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.20
Rot. Bonds2

About 5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (PubChem CID 62717589) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
PubChem CID62717589
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESNc1ccc(-c2nc(-c3cccc4ccccc34)no2)s1
InChIInChI=1S/C16H11N3OS/c17-14-9-8-13(21-14)16-18-15(19-20-16)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,17H2
InChIKeyBTFZXHSQIHMAON-UHFFFAOYSA-N
XLogP4.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The IUPAC name of 5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (CID 62717589) is 5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.
What is the SMILES notation for 5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The canonical SMILES for 5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is Nc1ccc(-c2nc(-c3cccc4ccccc34)no2)s1.
What is the InChIKey of 5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The InChIKey is BTFZXHSQIHMAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-14-9-8-13(21-14)16-18-15(19-20-16)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,17H2.
What are the key properties of 5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine has a molecular weight of 293.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is sourced from PubChem (CID 62717589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).