5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine

C11H11FN2O4S — CID 117461608

IUPAC5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)ccc(S(C)(=O)=O)c1F
InChIInChI=1S/C11H11FN2O4S/c1-17-11-6(7-5-9(13)14-18-7)3-4-8(10(11)12)19(2,15)16/h3-5H,1-2H3,(H2,13,14)
InChIKeyDCQKMAFMEOKCSB-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.48
Rot. Bonds3

About 5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine

5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine (PubChem CID 117461608) has the molecular formula C11H11FN2O4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
PubChem CID117461608
Molecular FormulaC11H11FN2O4S
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)ccc(S(C)(=O)=O)c1F
InChIInChI=1S/C11H11FN2O4S/c1-17-11-6(7-5-9(13)14-18-7)3-4-8(10(11)12)19(2,15)16/h3-5H,1-2H3,(H2,13,14)
InChIKeyDCQKMAFMEOKCSB-UHFFFAOYSA-N
XLogP1.48
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine (CID 117461608) is 5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine is COc1c(-c2cc(N)no2)ccc(S(C)(=O)=O)c1F.
What is the InChIKey of 5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine?
The InChIKey is DCQKMAFMEOKCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4S/c1-17-11-6(7-5-9(13)14-18-7)3-4-8(10(11)12)19(2,15)16/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine?
5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine has a molecular weight of 286.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117461608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).