2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole

C17H11F2N5O2 — CID 169290238

IUPAC2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(COc3ccc4cnccc4c3)nc2)o1
InChIInChI=1S/C17H11F2N5O2/c18-15(19)17-24-23-16(26-17)12-7-21-14(22-8-12)9-25-13-2-1-11-6-20-4-3-10(11)5-13/h1-8,15H,9H2
InChIKeyNDHRWPCLQDWEJX-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.59
Rot. Bonds5

About 2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole (PubChem CID 169290238) has the molecular formula C17H11F2N5O2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
PubChem CID169290238
Molecular FormulaC17H11F2N5O2
Molecular Weight355.30 g/mol
Exact Mass355.09
IUPAC Name2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(COc3ccc4cnccc4c3)nc2)o1
InChIInChI=1S/C17H11F2N5O2/c18-15(19)17-24-23-16(26-17)12-7-21-14(22-8-12)9-25-13-2-1-11-6-20-4-3-10(11)5-13/h1-8,15H,9H2
InChIKeyNDHRWPCLQDWEJX-UHFFFAOYSA-N
XLogP3.59
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(Difluoromethyl)-5-[6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290116
2-(Difluoromethyl)-5-[2-(quinoxalin-5-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290121
2-(Difluoromethyl)-5-[5-fluoro-6-(quinazolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290133
2-(Difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290139
2-(Difluoromethyl)-5-[6-(quinazolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290157
2-(Difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290166
2-(Difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290180
2-(Difluoromethyl)-5-[5-fluoro-6-(isoquinolin-7-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290258
2-(Difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290260
2-(Difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290299
2-(Difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290301
2-(Difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290333

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole (CID 169290238) is 2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2cnc(COc3ccc4cnccc4c3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The InChIKey is NDHRWPCLQDWEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2/c18-15(19)17-24-23-16(26-17)12-7-21-14(22-8-12)9-25-13-2-1-11-6-20-4-3-10(11)5-13/h1-8,15H,9H2.
What are the key properties of 2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole has a molecular weight of 355.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).