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

C13H9F2N3OS — CID 115284912

IUPAC[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESNC(c1nc(-c2ccc(F)c(F)c2)no1)c1cccs1
InChIInChI=1S/C13H9F2N3OS/c14-8-4-3-7(6-9(8)15)12-17-13(19-18-12)11(16)10-2-1-5-20-10/h1-6,11H,16H2
InChIKeyNENXEJFXNZCPEU-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.12
Rot. Bonds3

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

[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (PubChem CID 115284912) has the molecular formula C13H9F2N3OS and a molecular weight of 293.30 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
PubChem CID115284912
Molecular FormulaC13H9F2N3OS
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESNC(c1nc(-c2ccc(F)c(F)c2)no1)c1cccs1
InChIInChI=1S/C13H9F2N3OS/c14-8-4-3-7(6-9(8)15)12-17-13(19-18-12)11(16)10-2-1-5-20-10/h1-6,11H,16H2
InChIKeyNENXEJFXNZCPEU-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284891
(S)-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832497
3-[5-[amino(thiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921115
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285012
[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285013
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498
(R)-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 29288002
cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61015748
[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284923
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909386
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The IUPAC name of [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (CID 115284912) is [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The canonical SMILES for [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is NC(c1nc(-c2ccc(F)c(F)c2)no1)c1cccs1.
What is the InChIKey of [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The InChIKey is NENXEJFXNZCPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3OS/c14-8-4-3-7(6-9(8)15)12-17-13(19-18-12)11(16)10-2-1-5-20-10/h1-6,11H,16H2.
What are the key properties of [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine has a molecular weight of 293.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 115284912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).