2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine

C14H11F2N3O2 — CID 58148269

IUPAC2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cnc2oc(-c3ccncc3OCC(F)F)nc2c1
InChIInChI=1S/C14H11F2N3O2/c1-8-4-10-14(18-5-8)21-13(19-10)9-2-3-17-6-11(9)20-7-12(15)16/h2-6,12H,7H2,1H3
InChIKeySBVZQZRXPHSWCJ-UHFFFAOYSA-N
MW291.26 g/mol
LogP3.24
Rot. Bonds4

About 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine

2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 58148269) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID58148269
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC Name2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cnc2oc(-c3ccncc3OCC(F)F)nc2c1
InChIInChI=1S/C14H11F2N3O2/c1-8-4-10-14(18-5-8)21-13(19-10)9-2-3-17-6-11(9)20-7-12(15)16/h2-6,12H,7H2,1H3
InChIKeySBVZQZRXPHSWCJ-UHFFFAOYSA-N
XLogP3.24
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine (CID 58148269) is 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine is Cc1cnc2oc(-c3ccncc3OCC(F)F)nc2c1.
What is the InChIKey of 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is SBVZQZRXPHSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c1-8-4-10-14(18-5-8)21-13(19-10)9-2-3-17-6-11(9)20-7-12(15)16/h2-6,12H,7H2,1H3.
What are the key properties of 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 291.26 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 58148269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).