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

C14H12FN3OS — CID 43152231

IUPAC5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C14H12FN3OS/c1-8-6-11(16)20-13(8)14-17-12(18-19-14)7-9-2-4-10(15)5-3-9/h2-6H,7,16H2,1H3
InChIKeyJROAHGHHRBEEAN-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.42
Rot. Bonds3

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

5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (PubChem CID 43152231) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
PubChem CID43152231
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C14H12FN3OS/c1-8-6-11(16)20-13(8)14-17-12(18-19-14)7-9-2-4-10(15)5-3-9/h2-6H,7,16H2,1H3
InChIKeyJROAHGHHRBEEAN-UHFFFAOYSA-N
XLogP3.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (CID 43152231) is 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.
What is the SMILES notation for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The canonical SMILES for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is Cc1cc(N)sc1-c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The InChIKey is JROAHGHHRBEEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-8-6-11(16)20-13(8)14-17-12(18-19-14)7-9-2-4-10(15)5-3-9/h2-6H,7,16H2,1H3.
What are the key properties of 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is sourced from PubChem (CID 43152231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).