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

C14H11F2N3OS — CID 61496871

IUPAC5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C14H11F2N3OS/c1-7-2-11(17)21-13(7)14-18-12(19-20-14)5-8-3-9(15)6-10(16)4-8/h2-4,6H,5,17H2,1H3
InChIKeyGKAJBJJJVMOJIS-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.56
Rot. Bonds3

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

5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (PubChem CID 61496871) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
PubChem CID61496871
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C14H11F2N3OS/c1-7-2-11(17)21-13(7)14-18-12(19-20-14)5-8-3-9(15)6-10(16)4-8/h2-4,6H,5,17H2,1H3
InChIKeyGKAJBJJJVMOJIS-UHFFFAOYSA-N
XLogP3.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The IUPAC name of 5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine (CID 61496871) is 5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine.
What is the SMILES notation for 5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The canonical SMILES for 5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is Cc1cc(N)sc1-c1nc(Cc2cc(F)cc(F)c2)no1.
What is the InChIKey of 5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
The InChIKey is GKAJBJJJVMOJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c1-7-2-11(17)21-13(7)14-18-12(19-20-14)5-8-3-9(15)6-10(16)4-8/h2-4,6H,5,17H2,1H3.
What are the key properties of 5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine?
5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine has a molecular weight of 307.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine is sourced from PubChem (CID 61496871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).