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

C13H9FN2OS — CID 66199577

IUPAC5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccccc2F)c1-c1cccs1
InChIInChI=1S/C13H9FN2OS/c14-9-5-2-1-4-8(9)12-11(13(15)16-17-12)10-6-3-7-18-10/h1-7H,(H2,15,16)
InChIKeyIMTJBNKPVFSPQV-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.79
Rot. Bonds2

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

5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66199577) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66199577
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccccc2F)c1-c1cccs1
InChIInChI=1S/C13H9FN2OS/c14-9-5-2-1-4-8(9)12-11(13(15)16-17-12)10-6-3-7-18-10/h1-7H,(H2,15,16)
InChIKeyIMTJBNKPVFSPQV-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66199577) is 5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2ccccc2F)c1-c1cccs1.
What is the InChIKey of 5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is IMTJBNKPVFSPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-9-5-2-1-4-8(9)12-11(13(15)16-17-12)10-6-3-7-18-10/h1-7H,(H2,15,16).
What are the key properties of 5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(2-fluorophenyl)-4-thiophen-2-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 5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).