2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide

C16H11F4N3O2S — CID 46341187

IUPAC2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide
SMILESCCC(Sc1nc2ncccc2o1)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H11F4N3O2S/c1-2-10(26-16-23-14-9(25-16)4-3-5-21-14)15(24)22-13-11(19)7(17)6-8(18)12(13)20/h3-6,10H,2H2,1H3,(H,22,24)
InChIKeyXJJFAGXAGYXOAN-UHFFFAOYSA-N
MW385.34 g/mol
LogP4.29
Rot. Bonds5

About 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide

2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide (PubChem CID 46341187) has the molecular formula C16H11F4N3O2S and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide.

Molecular Properties

Compound Name2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide
PubChem CID46341187
Molecular FormulaC16H11F4N3O2S
Molecular Weight385.34 g/mol
Exact Mass385.05
IUPAC Name2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide
SMILESCCC(Sc1nc2ncccc2o1)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H11F4N3O2S/c1-2-10(26-16-23-14-9(25-16)4-3-5-21-14)15(24)22-13-11(19)7(17)6-8(18)12(13)20/h3-6,10H,2H2,1H3,(H,22,24)
InChIKeyXJJFAGXAGYXOAN-UHFFFAOYSA-N
XLogP4.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-diethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 50792838
(2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92708370
(2R)-N-(4-ethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92708350
2-benzylsulfanyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 23801430
2-cyclohexylsulfanyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 23858547
(2S)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propanamide
CID 92708345
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)butanamide
CID 23743056
N-(4-butan-2-ylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 22587552
N-(2-ethyl-6-methylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948879
2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylbutanamide
CID 2891403
2-[[3-[1-oxo-1-(2,3,5,6-tetrafluoroanilino)butan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895748
3-methyl-N-[3-[1-oxo-1-(2,3,5,6-tetrafluoroanilino)butan-2-yl]sulfanylphenyl]benzamide
CID 18906896

Frequently Asked Questions

What is the IUPAC name of 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide?
The IUPAC name of 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide (CID 46341187) is 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide.
What is the SMILES notation for 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide?
The canonical SMILES for 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide is CCC(Sc1nc2ncccc2o1)C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide?
The InChIKey is XJJFAGXAGYXOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2S/c1-2-10(26-16-23-14-9(25-16)4-3-5-21-14)15(24)22-13-11(19)7(17)6-8(18)12(13)20/h3-6,10H,2H2,1H3,(H,22,24).
What are the key properties of 2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide?
2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)butanamide has a molecular weight of 385.34 g/mol, XLogP of 4.29, 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-(2,3,5,6-tetrafluorophenyl)butanamide is sourced from PubChem (CID 46341187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).