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

C13H8ClFN2OS — CID 81265627

IUPAC3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccc(Cl)c2F)c1-c1cccs1
InChIInChI=1S/C13H8ClFN2OS/c14-8-4-1-3-7(11(8)15)12-10(13(16)18-17-12)9-5-2-6-19-9/h1-6H,16H2
InChIKeyLWQPKKKFOHMLKI-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.44
Rot. Bonds2

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

3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 81265627) has the molecular formula C13H8ClFN2OS and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID81265627
Molecular FormulaC13H8ClFN2OS
Molecular Weight294.74 g/mol
Exact Mass294.00
IUPAC Name3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccc(Cl)c2F)c1-c1cccs1
InChIInChI=1S/C13H8ClFN2OS/c14-8-4-1-3-7(11(8)15)12-10(13(16)18-17-12)9-5-2-6-19-9/h1-6H,16H2
InChIKeyLWQPKKKFOHMLKI-UHFFFAOYSA-N
XLogP4.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 81265627) is 3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2cccc(Cl)c2F)c1-c1cccs1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is LWQPKKKFOHMLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2OS/c14-8-4-1-3-7(11(8)15)12-10(13(16)18-17-12)9-5-2-6-19-9/h1-6H,16H2.
What are the key properties of 3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 294.74 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 81265627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).