4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine

C12H11FN2O4S — CID 117480730

IUPAC4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(S(=O)(=O)C2COC2)c(F)c1
InChIInChI=1S/C12H11FN2O4S/c13-10-3-7(9-4-15-19-12(9)14)1-2-11(10)20(16,17)8-5-18-6-8/h1-4,8H,5-6,14H2
InChIKeyKPYFIHOBPULGQU-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.24
Rot. Bonds3

About 4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine

4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117480730) has the molecular formula C12H11FN2O4S and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117480730
Molecular FormulaC12H11FN2O4S
Molecular Weight298.30 g/mol
Exact Mass298.04
IUPAC Name4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(S(=O)(=O)C2COC2)c(F)c1
InChIInChI=1S/C12H11FN2O4S/c13-10-3-7(9-4-15-19-12(9)14)1-2-11(10)20(16,17)8-5-18-6-8/h1-4,8H,5-6,14H2
InChIKeyKPYFIHOBPULGQU-UHFFFAOYSA-N
XLogP1.24
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine (CID 117480730) is 4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine is Nc1oncc1-c1ccc(S(=O)(=O)C2COC2)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is KPYFIHOBPULGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S/c13-10-3-7(9-4-15-19-12(9)14)1-2-11(10)20(16,17)8-5-18-6-8/h1-4,8H,5-6,14H2.
What are the key properties of 4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine?
4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 298.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117480730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).