(4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate

C10H7FN2O3 — CID 117215017

IUPAC(4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate
SMILESNc1cc(C(=O)Oc2ccc(F)cc2)no1
InChIInChI=1S/C10H7FN2O3/c11-6-1-3-7(4-2-6)15-10(14)8-5-9(12)16-13-8/h1-5H,12H2
InChIKeyQCFQEMICGQXIJH-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.62
Rot. Bonds2

About (4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate

(4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate (PubChem CID 117215017) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is (4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate
PubChem CID117215017
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name(4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate
SMILESNc1cc(C(=O)Oc2ccc(F)cc2)no1
InChIInChI=1S/C10H7FN2O3/c11-6-1-3-7(4-2-6)15-10(14)8-5-9(12)16-13-8/h1-5H,12H2
InChIKeyQCFQEMICGQXIJH-UHFFFAOYSA-N
XLogP1.62
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate?
The IUPAC name of (4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate (CID 117215017) is (4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate?
The canonical SMILES for (4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate is Nc1cc(C(=O)Oc2ccc(F)cc2)no1.
What is the InChIKey of (4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate?
The InChIKey is QCFQEMICGQXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-6-1-3-7(4-2-6)15-10(14)8-5-9(12)16-13-8/h1-5H,12H2.
What are the key properties of (4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate?
(4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate has a molecular weight of 222.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 117215017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).