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

C13H9F2N3OS — CID 64559443

IUPAC5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(Cc3ccc(F)cc3F)no2)s1
InChIInChI=1S/C13H9F2N3OS/c14-8-2-1-7(9(15)6-8)5-12-17-13(19-18-12)10-3-4-11(16)20-10/h1-4,6H,5,16H2
InChIKeyNAPJJBMEIZEIKV-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.25
Rot. Bonds3

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

5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 64559443) has the molecular formula C13H9F2N3OS and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID64559443
Molecular FormulaC13H9F2N3OS
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(Cc3ccc(F)cc3F)no2)s1
InChIInChI=1S/C13H9F2N3OS/c14-8-2-1-7(9(15)6-8)5-12-17-13(19-18-12)10-3-4-11(16)20-10/h1-4,6H,5,16H2
InChIKeyNAPJJBMEIZEIKV-UHFFFAOYSA-N
XLogP3.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 64559443) is 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Nc1ccc(-c2nc(Cc3ccc(F)cc3F)no2)s1.
What is the InChIKey of 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is NAPJJBMEIZEIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3OS/c14-8-2-1-7(9(15)6-8)5-12-17-13(19-18-12)10-3-4-11(16)20-10/h1-4,6H,5,16H2.
What are the key properties of 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 293.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 64559443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).