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

C9H7FN2O — CID 61393382

IUPAC4-(3-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cccc(F)c1
InChIInChI=1S/C9H7FN2O/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,11H2
InChIKeyWSEKPMMEQGXONX-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.06
Rot. Bonds1

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

4-(3-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 61393382) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID61393382
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name4-(3-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cccc(F)c1
InChIInChI=1S/C9H7FN2O/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,11H2
InChIKeyWSEKPMMEQGXONX-UHFFFAOYSA-N
XLogP2.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-fluorophenyl)-1,2-oxazol-5-amine (CID 61393382) is 4-(3-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-fluorophenyl)-1,2-oxazol-5-amine is Nc1oncc1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is WSEKPMMEQGXONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,11H2.
What are the key properties of 4-(3-fluorophenyl)-1,2-oxazol-5-amine?
4-(3-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 178.17 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 61393382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).