6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole

C17H11F3N4O3 — CID 169290362

IUPAC6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cc(OCc3ncc(-c4nnc(C(F)F)o4)cc3F)ccc12
InChIInChI=1S/C17H11F3N4O3/c1-8-11-3-2-10(5-14(11)27-24-8)25-7-13-12(18)4-9(6-21-13)16-22-23-17(26-16)15(19)20/h2-6,15H,7H2,1H3
InChIKeyPASOCBVPQOGSFX-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.24
Rot. Bonds5

About 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole

6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole (PubChem CID 169290362) has the molecular formula C17H11F3N4O3 and a molecular weight of 376.29 g/mol. Its IUPAC name is 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
PubChem CID169290362
Molecular FormulaC17H11F3N4O3
Molecular Weight376.29 g/mol
Exact Mass376.08
IUPAC Name6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cc(OCc3ncc(-c4nnc(C(F)F)o4)cc3F)ccc12
InChIInChI=1S/C17H11F3N4O3/c1-8-11-3-2-10(5-14(11)27-24-8)25-7-13-12(18)4-9(6-21-13)16-22-23-17(26-16)15(19)20/h2-6,15H,7H2,1H3
InChIKeyPASOCBVPQOGSFX-UHFFFAOYSA-N
XLogP4.24
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole with MolForge

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Related Compounds

6-[6-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazol-2-yl]-2-methylpyridazin-3-one
CID 169290125
4-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290146
6-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290155
4-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole
CID 169290176
4-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290202
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-6-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
CID 169290245
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
6-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290341
6-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole
CID 169290347
5-[5-[1-(4-Fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 56784737
3-Cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 56804612
3-cyclopropyl-5-[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 95618358

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole (CID 169290362) is 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole is Cc1noc2cc(OCc3ncc(-c4nnc(C(F)F)o4)cc3F)ccc12.
What is the InChIKey of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The InChIKey is PASOCBVPQOGSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O3/c1-8-11-3-2-10(5-14(11)27-24-8)25-7-13-12(18)4-9(6-21-13)16-22-23-17(26-16)15(19)20/h2-6,15H,7H2,1H3.
What are the key properties of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole has a molecular weight of 376.29 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 169290362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).