3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H15F2N3O2 — CID 44823754

IUPAC3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(C2CC2)nc2onc(C3CC3)c12
InChIInChI=1S/C19H15F2N3O2/c20-13-6-5-11(7-14(13)21)22-18(25)12-8-15(9-1-2-9)23-19-16(12)17(24-26-19)10-3-4-10/h5-10H,1-4H2,(H,22,25)
InChIKeyICSOGEJEVJVPIZ-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.51
Rot. Bonds4

About 3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44823754) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44823754
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(C2CC2)nc2onc(C3CC3)c12
InChIInChI=1S/C19H15F2N3O2/c20-13-6-5-11(7-14(13)21)22-18(25)12-8-15(9-1-2-9)23-19-16(12)17(24-26-19)10-3-4-10/h5-10H,1-4H2,(H,22,25)
InChIKeyICSOGEJEVJVPIZ-UHFFFAOYSA-N
XLogP4.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44823754) is 3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(C2CC2)nc2onc(C3CC3)c12.
What is the InChIKey of 3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ICSOGEJEVJVPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-13-6-5-11(7-14(13)21)22-18(25)12-8-15(9-1-2-9)23-19-16(12)17(24-26-19)10-3-4-10/h5-10H,1-4H2,(H,22,25).
What are the key properties of 3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44823754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).