2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide

C17H14F3N3O2S — CID 45106885

IUPAC2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCCC(Sc1nc2ncccc2o1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3O2S/c1-2-13(26-16-23-14-12(25-16)8-5-9-21-14)15(24)22-11-7-4-3-6-10(11)17(18,19)20/h3-9,13H,2H2,1H3,(H,22,24)
InChIKeyLSYOEHNAFLMZNR-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.75
Rot. Bonds5

About 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide

2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 45106885) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID45106885
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCCC(Sc1nc2ncccc2o1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3O2S/c1-2-13(26-16-23-14-12(25-16)8-5-9-21-14)15(24)22-11-7-4-3-6-10(11)17(18,19)20/h3-9,13H,2H2,1H3,(H,22,24)
InChIKeyLSYOEHNAFLMZNR-UHFFFAOYSA-N
XLogP4.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide (CID 45106885) is 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide is CCC(Sc1nc2ncccc2o1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is LSYOEHNAFLMZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-2-13(26-16-23-14-12(25-16)8-5-9-21-14)15(24)22-11-7-4-3-6-10(11)17(18,19)20/h3-9,13H,2H2,1H3,(H,22,24).
What are the key properties of 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide?
2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 381.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 45106885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).