4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole

C11H6F3N3O — CID 155227530

IUPAC4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
SMILESFc1cnc2[nH]cc(-c3ocnc3C(F)F)c2c1
InChIInChI=1S/C11H6F3N3O/c12-5-1-6-7(3-16-11(6)15-2-5)9-8(10(13)14)17-4-18-9/h1-4,10H,(H,15,16)
InChIKeyOEFYWDDJPAGFPV-UHFFFAOYSA-N
MW253.18 g/mol
LogP3.29
Rot. Bonds2

About 4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole

4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (PubChem CID 155227530) has the molecular formula C11H6F3N3O and a molecular weight of 253.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
PubChem CID155227530
Molecular FormulaC11H6F3N3O
Molecular Weight253.18 g/mol
Exact Mass253.05
IUPAC Name4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
SMILESFc1cnc2[nH]cc(-c3ocnc3C(F)F)c2c1
InChIInChI=1S/C11H6F3N3O/c12-5-1-6-7(3-16-11(6)15-2-5)9-8(10(13)14)17-4-18-9/h1-4,10H,(H,15,16)
InChIKeyOEFYWDDJPAGFPV-UHFFFAOYSA-N
XLogP3.29
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (CID 155227530) is 4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is Fc1cnc2[nH]cc(-c3ocnc3C(F)F)c2c1.
What is the InChIKey of 4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The InChIKey is OEFYWDDJPAGFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O/c12-5-1-6-7(3-16-11(6)15-2-5)9-8(10(13)14)17-4-18-9/h1-4,10H,(H,15,16).
What are the key properties of 4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole has a molecular weight of 253.18 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is sourced from PubChem (CID 155227530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).