5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

C13H8F2N2OS — CID 66198184

IUPAC5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)cc(F)c2)c1-c1cccs1
InChIInChI=1S/C13H8F2N2OS/c14-8-4-7(5-9(15)6-8)12-11(13(16)17-18-12)10-2-1-3-19-10/h1-6H,(H2,16,17)
InChIKeyYUYXGDQMCHTQOD-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.93
Rot. Bonds2

About 5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66198184) has the molecular formula C13H8F2N2OS and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66198184
Molecular FormulaC13H8F2N2OS
Molecular Weight278.28 g/mol
Exact Mass278.03
IUPAC Name5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)cc(F)c2)c1-c1cccs1
InChIInChI=1S/C13H8F2N2OS/c14-8-4-7(5-9(15)6-8)12-11(13(16)17-18-12)10-2-1-3-19-10/h1-6H,(H2,16,17)
InChIKeyYUYXGDQMCHTQOD-UHFFFAOYSA-N
XLogP3.93
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66198184) is 5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2cc(F)cc(F)c2)c1-c1cccs1.
What is the InChIKey of 5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is YUYXGDQMCHTQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2OS/c14-8-4-7(5-9(15)6-8)12-11(13(16)17-18-12)10-2-1-3-19-10/h1-6H,(H2,16,17).
What are the key properties of 5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 278.28 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66198184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).