2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide

C11H8FN3O3 — CID 3039173

IUPAC2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide
SMILESNC(=O)c1nc(-c2ccccc2F)oc1C(N)=O
InChIInChI=1S/C11H8FN3O3/c12-6-4-2-1-3-5(6)11-15-7(9(13)16)8(18-11)10(14)17/h1-4H,(H2,13,16)(H2,14,17)
InChIKeySZZAATWDFGGKCA-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.68
Rot. Bonds3

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

2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide (PubChem CID 3039173) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide
PubChem CID3039173
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide
SMILESNC(=O)c1nc(-c2ccccc2F)oc1C(N)=O
InChIInChI=1S/C11H8FN3O3/c12-6-4-2-1-3-5(6)11-15-7(9(13)16)8(18-11)10(14)17/h1-4H,(H2,13,16)(H2,14,17)
InChIKeySZZAATWDFGGKCA-UHFFFAOYSA-N
XLogP0.68
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide?
The IUPAC name of 2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide (CID 3039173) is 2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide is NC(=O)c1nc(-c2ccccc2F)oc1C(N)=O.
What is the InChIKey of 2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide?
The InChIKey is SZZAATWDFGGKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-6-4-2-1-3-5(6)11-15-7(9(13)16)8(18-11)10(14)17/h1-4H,(H2,13,16)(H2,14,17).
What are the key properties of 2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide?
2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide has a molecular weight of 249.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1,3-oxazole-4,5-dicarboxamide is sourced from PubChem (CID 3039173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).