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

C18H13F2N5O2 — CID 169290139

IUPAC2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2n1
InChIInChI=1S/C18H13F2N5O2/c1-10-22-14-5-3-2-4-13(14)17(23-10)26-9-12-7-6-11(8-21-12)16-24-25-18(27-16)15(19)20/h2-8,15H,9H2,1H3
InChIKeyFBRBHJFMTDSIPY-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.90
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290139) has the molecular formula C18H13F2N5O2 and a molecular weight of 369.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290139
Molecular FormulaC18H13F2N5O2
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC Name2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2n1
InChIInChI=1S/C18H13F2N5O2/c1-10-22-14-5-3-2-4-13(14)17(23-10)26-9-12-7-6-11(8-21-12)16-24-25-18(27-16)15(19)20/h2-8,15H,9H2,1H3
InChIKeyFBRBHJFMTDSIPY-UHFFFAOYSA-N
XLogP3.90
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.90
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-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290118
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-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290143
2-(Difluoromethyl)-5-[6-(quinazolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290157
2-(Difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(Difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290178
2-(Difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290180
2-(Difluoromethyl)-5-[5-fluoro-6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290183
2-(Difluoromethyl)-5-[5-fluoro-6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290210
2-(Difluoromethyl)-5-[5-fluoro-6-(quinolin-7-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290223

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290139) is 2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1nc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2n1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is FBRBHJFMTDSIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2/c1-10-22-14-5-3-2-4-13(14)17(23-10)26-9-12-7-6-11(8-21-12)16-24-25-18(27-16)15(19)20/h2-8,15H,9H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 369.33 g/mol, XLogP of 3.90, 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-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).