4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride

C12H14FN3O3S — CID 175673072

IUPAC4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride
SMILESCC(C)c1conc1CNc1ccnc(S(=O)(=O)F)c1
InChIInChI=1S/C12H14FN3O3S/c1-8(2)10-7-19-16-11(10)6-15-9-3-4-14-12(5-9)20(13,17)18/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyMTEYWMDRZFPWMV-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.46
Rot. Bonds5

About 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride

4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride (PubChem CID 175673072) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride.

Molecular Properties

Compound Name4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride
PubChem CID175673072
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride
SMILESCC(C)c1conc1CNc1ccnc(S(=O)(=O)F)c1
InChIInChI=1S/C12H14FN3O3S/c1-8(2)10-7-19-16-11(10)6-15-9-3-4-14-12(5-9)20(13,17)18/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyMTEYWMDRZFPWMV-UHFFFAOYSA-N
XLogP2.46
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride?
The IUPAC name of 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride (CID 175673072) is 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride.
What is the SMILES notation for 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride?
The canonical SMILES for 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride is CC(C)c1conc1CNc1ccnc(S(=O)(=O)F)c1.
What is the InChIKey of 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride?
The InChIKey is MTEYWMDRZFPWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-8(2)10-7-19-16-11(10)6-15-9-3-4-14-12(5-9)20(13,17)18/h3-5,7-8H,6H2,1-2H3,(H,14,15).
What are the key properties of 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride?
4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride has a molecular weight of 299.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylamino]pyridine-2-sulfonyl fluoride is sourced from PubChem (CID 175673072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).