5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine

C17H11F3N6O2 — CID 169290115

IUPAC5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine
SMILESNc1cnc2c(OCc3ncc(-c4nnc(C(F)F)o4)cc3F)cccc2n1
InChIInChI=1S/C17H11F3N6O2/c18-9-4-8(16-25-26-17(28-16)15(19)20)5-22-11(9)7-27-12-3-1-2-10-14(12)23-6-13(21)24-10/h1-6,15H,7H2,(H2,21,24)
InChIKeyFLBMQXDUMQUYFI-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.31
Rot. Bonds5

About 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine

5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine (PubChem CID 169290115) has the molecular formula C17H11F3N6O2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine.

Molecular Properties

Compound Name5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine
PubChem CID169290115
Molecular FormulaC17H11F3N6O2
Molecular Weight388.31 g/mol
Exact Mass388.09
IUPAC Name5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine
SMILESNc1cnc2c(OCc3ncc(-c4nnc(C(F)F)o4)cc3F)cccc2n1
InChIInChI=1S/C17H11F3N6O2/c18-9-4-8(16-25-26-17(28-16)15(19)20)5-22-11(9)7-27-12-3-1-2-10-14(12)23-6-13(21)24-10/h1-6,15H,7H2,(H2,21,24)
InChIKeyFLBMQXDUMQUYFI-UHFFFAOYSA-N
XLogP3.31
TPSA112.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290183
2-(difluoromethyl)-5-[5-fluoro-6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235861
2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290300
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136
6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 170284167
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(2,6-difluorophenyl)ethyl]pyrimidin-2-amine
CID 146676716
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-(2,6-difluorophenyl)ethyl]pyrimidin-2-amine
CID 146676715
2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290364
5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722077
2-[6-[[4-[4-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]-5-fluoro-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162443058
2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722483

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine?
The IUPAC name of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine (CID 169290115) is 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine.
What is the SMILES notation for 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine?
The canonical SMILES for 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine is Nc1cnc2c(OCc3ncc(-c4nnc(C(F)F)o4)cc3F)cccc2n1.
What is the InChIKey of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine?
The InChIKey is FLBMQXDUMQUYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O2/c18-9-4-8(16-25-26-17(28-16)15(19)20)5-22-11(9)7-27-12-3-1-2-10-14(12)23-6-13(21)24-10/h1-6,15H,7H2,(H2,21,24).
What are the key properties of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine?
5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine has a molecular weight of 388.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine is sourced from PubChem (CID 169290115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).