5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine

C13H10FN3OS — CID 43514815

IUPAC5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C13H10FN3OS/c1-7-5-10(15)19-11(7)13-16-12(17-18-13)8-3-2-4-9(14)6-8/h2-6H,15H2,1H3
InChIKeyVSIISOSEQBPCFI-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.49
Rot. Bonds2

About 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine

5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (PubChem CID 43514815) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
PubChem CID43514815
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C13H10FN3OS/c1-7-5-10(15)19-11(7)13-16-12(17-18-13)8-3-2-4-9(14)6-8/h2-6H,15H2,1H3
InChIKeyVSIISOSEQBPCFI-UHFFFAOYSA-N
XLogP3.49
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The IUPAC name of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (CID 43514815) is 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.
What is the SMILES notation for 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The canonical SMILES for 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is Cc1cc(N)sc1-c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The InChIKey is VSIISOSEQBPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-7-5-10(15)19-11(7)13-16-12(17-18-13)8-3-2-4-9(14)6-8/h2-6H,15H2,1H3.
What are the key properties of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is sourced from PubChem (CID 43514815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).