4-fluoro-1,2-oxazole-3-carboxamide

C4H3FN2O2 — CID 154036926

IUPAC4-fluoro-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1nocc1F
InChIInChI=1S/C4H3FN2O2/c5-2-1-9-7-3(2)4(6)8/h1H,(H2,6,8)
InChIKeyXIPYGJAKOMCOFC-UHFFFAOYSA-N
MW130.08 g/mol
LogP-0.09
Rot. Bonds1

About 4-fluoro-1,2-oxazole-3-carboxamide

4-fluoro-1,2-oxazole-3-carboxamide (PubChem CID 154036926) has the molecular formula C4H3FN2O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 4-fluoro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-1,2-oxazole-3-carboxamide
PubChem CID154036926
Molecular FormulaC4H3FN2O2
Molecular Weight130.08 g/mol
Exact Mass130.02
IUPAC Name4-fluoro-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1nocc1F
InChIInChI=1S/C4H3FN2O2/c5-2-1-9-7-3(2)4(6)8/h1H,(H2,6,8)
InChIKeyXIPYGJAKOMCOFC-UHFFFAOYSA-N
XLogP-0.09
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Oxazole-3-carboxamide
CID 22263119
Isoxazole-3-hydroxamic acid
CID 61802965
3,4-Isoxazolediamide
CID 67849858
N-(trifluoromethyl)-1,2-oxazole-3-carboxamide
CID 138559842
4-(Trifluoromethyl)-1,2-oxazole-3-carboxamide
CID 138559843
4-Aminoisoxazole-3-carboxamide
CID 129878640
N-(2,2,2-trifluoroethoxy)-1,2-oxazole-3-carboxamide
CID 81340719
4-(Difluoromethyl)-1,2-oxazole-3-carboxamide
CID 153980259
1,2-Oxazole-3-carbonyl isocyanate
CID 45084065
4-Methylisoxazole-3-carboxamide
CID 55289446
4-Chloro-1,2-oxazole-3-carboxamide
CID 68607607
4-(Aminomethyl)-1,2-oxazole-3-carboxamide
CID 68842774

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-fluoro-1,2-oxazole-3-carboxamide (CID 154036926) is 4-fluoro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-fluoro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-fluoro-1,2-oxazole-3-carboxamide is NC(=O)c1nocc1F.
What is the InChIKey of 4-fluoro-1,2-oxazole-3-carboxamide?
The InChIKey is XIPYGJAKOMCOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-2-1-9-7-3(2)4(6)8/h1H,(H2,6,8).
What are the key properties of 4-fluoro-1,2-oxazole-3-carboxamide?
4-fluoro-1,2-oxazole-3-carboxamide has a molecular weight of 130.08 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154036926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).