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

C13H9FN2OS — CID 66199158

IUPAC4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccsc2)c1-c1ccccc1F
InChIInChI=1S/C13H9FN2OS/c14-10-4-2-1-3-9(10)11-12(17-16-13(11)15)8-5-6-18-7-8/h1-7H,(H2,15,16)
InChIKeyCUYPEEXENYZIFX-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.79
Rot. Bonds2

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

4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine (PubChem CID 66199158) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
PubChem CID66199158
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccsc2)c1-c1ccccc1F
InChIInChI=1S/C13H9FN2OS/c14-10-4-2-1-3-9(10)11-12(17-16-13(11)15)8-5-6-18-7-8/h1-7H,(H2,15,16)
InChIKeyCUYPEEXENYZIFX-UHFFFAOYSA-N
XLogP3.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199755
4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200762
5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66200765
4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199355
4-(2-fluorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786774
4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
CID 66200502
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213
5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199577
4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204007
5-(4-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198769
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199156

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine (CID 66199158) is 4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine is Nc1noc(-c2ccsc2)c1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine?
The InChIKey is CUYPEEXENYZIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-10-4-2-1-3-9(10)11-12(17-16-13(11)15)8-5-6-18-7-8/h1-7H,(H2,15,16).
What are the key properties of 4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine?
4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine has a molecular weight of 260.29 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).