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

C10H7FN2O3 — CID 117213339

IUPAC(3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate
SMILESNc1oncc1C(=O)Oc1cccc(F)c1
InChIInChI=1S/C10H7FN2O3/c11-6-2-1-3-7(4-6)15-10(14)8-5-13-16-9(8)12/h1-5H,12H2
InChIKeySXKMVRMWSXELOH-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.62
Rot. Bonds2

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

(3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate (PubChem CID 117213339) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is (3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate
PubChem CID117213339
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name(3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate
SMILESNc1oncc1C(=O)Oc1cccc(F)c1
InChIInChI=1S/C10H7FN2O3/c11-6-2-1-3-7(4-6)15-10(14)8-5-13-16-9(8)12/h1-5H,12H2
InChIKeySXKMVRMWSXELOH-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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Related Compounds

(3-fluorophenyl) 5-amino-1,2-oxazole-3-carboxylate
CID 117215010
(3-fluorophenyl) 5-amino-1-ethylpyrazole-4-carboxylate
CID 117213840
(3-hydroxyphenyl) 4-amino-1,2-oxazole-5-carboxylate
CID 117218664
(3-fluorophenyl) 5-fluoro-2-(trifluoromethyl)benzoate
CID 91730871
(3-fluorophenyl) 4-aminopyrimidine-2-carboxylate
CID 117213026
2-O-(3-fluorophenyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 91720635
2-O-(3-fluorophenyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91719768
(3-chlorophenyl) 4-amino-1,2-oxazole-5-carboxylate
CID 117218662
(3-methylphenyl) 4-amino-1,2-oxazole-5-carboxylate
CID 117218660
ethyl 5-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 22831692
(3-fluorophenyl) 3-hydroxybenzoate
CID 174105662
tert-butyl 5-amino-1,2-oxazole-4-carboxylate
CID 131213702

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate?
The IUPAC name of (3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate (CID 117213339) is (3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate?
The canonical SMILES for (3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate is Nc1oncc1C(=O)Oc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate?
The InChIKey is SXKMVRMWSXELOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-6-2-1-3-7(4-6)15-10(14)8-5-13-16-9(8)12/h1-5H,12H2.
What are the key properties of (3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate?
(3-fluorophenyl) 5-amino-1,2-oxazole-4-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 (3-fluorophenyl) 5-amino-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 117213339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).