4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine

C18H11F3N4OS — CID 143408387

IUPAC4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine
SMILESFC(F)(F)c1ccccc1SNc1cc(-c2nc3ncccc3o2)ccn1
InChIInChI=1S/C18H11F3N4OS/c19-18(20,21)12-4-1-2-6-14(12)27-25-15-10-11(7-9-22-15)17-24-16-13(26-17)5-3-8-23-16/h1-10H,(H,22,25)
InChIKeyQTZUDSWIHDLCLE-UHFFFAOYSA-N
MW388.37 g/mol
LogP5.42
Rot. Bonds4

About 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine

4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine (PubChem CID 143408387) has the molecular formula C18H11F3N4OS and a molecular weight of 388.37 g/mol. Its IUPAC name is 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine.

Molecular Properties

Compound Name4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine
PubChem CID143408387
Molecular FormulaC18H11F3N4OS
Molecular Weight388.37 g/mol
Exact Mass388.06
IUPAC Name4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine
SMILESFC(F)(F)c1ccccc1SNc1cc(-c2nc3ncccc3o2)ccn1
InChIInChI=1S/C18H11F3N4OS/c19-18(20,21)12-4-1-2-6-14(12)27-25-15-10-11(7-9-22-15)17-24-16-13(26-17)5-3-8-23-16/h1-10H,(H,22,25)
InChIKeyQTZUDSWIHDLCLE-UHFFFAOYSA-N
XLogP5.42
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.37
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine?
The IUPAC name of 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine (CID 143408387) is 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine.
What is the SMILES notation for 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine?
The canonical SMILES for 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine is FC(F)(F)c1ccccc1SNc1cc(-c2nc3ncccc3o2)ccn1.
What is the InChIKey of 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine?
The InChIKey is QTZUDSWIHDLCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4OS/c19-18(20,21)12-4-1-2-6-14(12)27-25-15-10-11(7-9-22-15)17-24-16-13(26-17)5-3-8-23-16/h1-10H,(H,22,25).
What are the key properties of 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine?
4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine has a molecular weight of 388.37 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[2-(trifluoromethyl)phenyl]sulfanylpyridin-2-amine is sourced from PubChem (CID 143408387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).