6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine

C12H15FN2O3S — CID 138053089

IUPAC6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine
SMILESCC(CS(C)(=O)=O)N(C)c1nc2ccc(F)cc2o1
InChIInChI=1S/C12H15FN2O3S/c1-8(7-19(3,16)17)15(2)12-14-10-5-4-9(13)6-11(10)18-12/h4-6,8H,7H2,1-3H3
InChIKeyBIQRPTCAGPNLJF-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.84
Rot. Bonds4

About 6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine

6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 138053089) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine
PubChem CID138053089
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine
SMILESCC(CS(C)(=O)=O)N(C)c1nc2ccc(F)cc2o1
InChIInChI=1S/C12H15FN2O3S/c1-8(7-19(3,16)17)15(2)12-14-10-5-4-9(13)6-11(10)18-12/h4-6,8H,7H2,1-3H3
InChIKeyBIQRPTCAGPNLJF-UHFFFAOYSA-N
XLogP1.84
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine (CID 138053089) is 6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine is CC(CS(C)(=O)=O)N(C)c1nc2ccc(F)cc2o1.
What is the InChIKey of 6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is BIQRPTCAGPNLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-8(7-19(3,16)17)15(2)12-14-10-5-4-9(13)6-11(10)18-12/h4-6,8H,7H2,1-3H3.
What are the key properties of 6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine?
6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 286.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 138053089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).