2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

C17H13F2N5O2 — CID 169290117

IUPAC2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCn1ncc2c(OCc3ccc(-c4nnc(C(F)F)o4)cn3)cccc21
InChIInChI=1S/C17H13F2N5O2/c1-24-13-3-2-4-14(12(13)8-21-24)25-9-11-6-5-10(7-20-11)16-22-23-17(26-16)15(18)19/h2-8,15H,9H2,1H3
InChIKeyNYNOIROIGPMEJB-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.53
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290117) has the molecular formula C17H13F2N5O2 and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290117
Molecular FormulaC17H13F2N5O2
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCn1ncc2c(OCc3ccc(-c4nnc(C(F)F)o4)cn3)cccc21
InChIInChI=1S/C17H13F2N5O2/c1-24-13-3-2-4-14(12(13)8-21-24)25-9-11-6-5-10(7-20-11)16-22-23-17(26-16)15(18)19/h2-8,15H,9H2,1H3
InChIKeyNYNOIROIGPMEJB-UHFFFAOYSA-N
XLogP3.53
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290117) is 2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Cn1ncc2c(OCc3ccc(-c4nnc(C(F)F)o4)cn3)cccc21.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is NYNOIROIGPMEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2/c1-24-13-3-2-4-14(12(13)8-21-24)25-9-11-6-5-10(7-20-11)16-22-23-17(26-16)15(18)19/h2-8,15H,9H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 357.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).