3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C16H15F2N5O3 — CID 169290287

IUPAC3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCN1CCc2onc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)c2C1
InChIInChI=1S/C16H15F2N5O3/c1-23-5-4-12-11(7-23)15(22-26-12)24-8-10-3-2-9(6-19-10)14-20-21-16(25-14)13(17)18/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyXQCHBSXTAXJONP-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.62
Rot. Bonds5

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 169290287) has the molecular formula C16H15F2N5O3 and a molecular weight of 363.32 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID169290287
Molecular FormulaC16H15F2N5O3
Molecular Weight363.32 g/mol
Exact Mass363.11
IUPAC Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCN1CCc2onc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)c2C1
InChIInChI=1S/C16H15F2N5O3/c1-23-5-4-12-11(7-23)15(22-26-12)24-8-10-3-2-9(6-19-10)14-20-21-16(25-14)13(17)18/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyXQCHBSXTAXJONP-UHFFFAOYSA-N
XLogP2.62
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 169290287) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CN1CCc2onc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)c2C1.
What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is XQCHBSXTAXJONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3/c1-23-5-4-12-11(7-23)15(22-26-12)24-8-10-3-2-9(6-19-10)14-20-21-16(25-14)13(17)18/h2-3,6,13H,4-5,7-8H2,1H3.
What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 363.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 169290287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).