2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide

C15H18F3N3O2S — CID 166760977

IUPAC2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1cc(-c2ccnc(C(F)(F)F)c2)no1
InChIInChI=1S/C15H18F3N3O2S/c1-9(21-24(22)14(2,3)4)12-8-11(20-23-12)10-5-6-19-13(7-10)15(16,17)18/h5-9,21H,1-4H3/t9-,24?/m1/s1
InChIKeyLGGMLULTDLRDAK-LZHCMRCZSA-N
MW361.39 g/mol
LogP3.87
Rot. Bonds4

About 2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide

2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide (PubChem CID 166760977) has the molecular formula C15H18F3N3O2S and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide
PubChem CID166760977
Molecular FormulaC15H18F3N3O2S
Molecular Weight361.39 g/mol
Exact Mass361.11
IUPAC Name2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1cc(-c2ccnc(C(F)(F)F)c2)no1
InChIInChI=1S/C15H18F3N3O2S/c1-9(21-24(22)14(2,3)4)12-8-11(20-23-12)10-5-6-19-13(7-10)15(16,17)18/h5-9,21H,1-4H3/t9-,24?/m1/s1
InChIKeyLGGMLULTDLRDAK-LZHCMRCZSA-N
XLogP3.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide (CID 166760977) is 2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)c1cc(-c2ccnc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide?
The InChIKey is LGGMLULTDLRDAK-LZHCMRCZSA-N. The full InChI is InChI=1S/C15H18F3N3O2S/c1-9(21-24(22)14(2,3)4)12-8-11(20-23-12)10-5-6-19-13(7-10)15(16,17)18/h5-9,21H,1-4H3/t9-,24?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide?
2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide has a molecular weight of 361.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 166760977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).