4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one

C9H7FN2O2 — CID 82401508

IUPAC4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one
SMILESNc1c(-c2ccccc2F)o[nH]c1=O
InChIInChI=1S/C9H7FN2O2/c10-6-4-2-1-3-5(6)8-7(11)9(13)12-14-8/h1-4H,11H2,(H,12,13)
InChIKeyPNCSDNOCPXFOJT-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.36
Rot. Bonds1

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

4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one (PubChem CID 82401508) has the molecular formula C9H7FN2O2 and a molecular weight of 194.17 g/mol. Its IUPAC name is 4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one
PubChem CID82401508
Molecular FormulaC9H7FN2O2
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one
SMILESNc1c(-c2ccccc2F)o[nH]c1=O
InChIInChI=1S/C9H7FN2O2/c10-6-4-2-1-3-5(6)8-7(11)9(13)12-14-8/h1-4H,11H2,(H,12,13)
InChIKeyPNCSDNOCPXFOJT-UHFFFAOYSA-N
XLogP1.36
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one?
The IUPAC name of 4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one (CID 82401508) is 4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one.
What is the SMILES notation for 4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one?
The canonical SMILES for 4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one is Nc1c(-c2ccccc2F)o[nH]c1=O.
What is the InChIKey of 4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one?
The InChIKey is PNCSDNOCPXFOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-6-4-2-1-3-5(6)8-7(11)9(13)12-14-8/h1-4H,11H2,(H,12,13).
What are the key properties of 4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one?
4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one has a molecular weight of 194.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-fluorophenyl)-1,2-oxazol-3-one is sourced from PubChem (CID 82401508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).