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

C18H14F2N4O3 — CID 170284167

IUPAC6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cc(OCc3ncc(-c4nnc(C(C)F)o4)cc3F)ccc12
InChIInChI=1S/C18H14F2N4O3/c1-9(19)17-22-23-18(26-17)11-5-14(20)15(21-7-11)8-25-12-3-4-13-10(2)24-27-16(13)6-12/h3-7,9H,8H2,1-2H3
InChIKeyJFQRUMWFQYNGGH-UHFFFAOYSA-N
MW372.33 g/mol
LogP4.33
Rot. Bonds5

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

6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole (PubChem CID 170284167) has the molecular formula C18H14F2N4O3 and a molecular weight of 372.33 g/mol. Its IUPAC name is 6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
PubChem CID170284167
Molecular FormulaC18H14F2N4O3
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC Name6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cc(OCc3ncc(-c4nnc(C(C)F)o4)cc3F)ccc12
InChIInChI=1S/C18H14F2N4O3/c1-9(19)17-22-23-18(26-17)11-5-14(20)15(21-7-11)8-25-12-3-4-13-10(2)24-27-16(13)6-12/h3-7,9H,8H2,1-2H3
InChIKeyJFQRUMWFQYNGGH-UHFFFAOYSA-N
XLogP4.33
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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]-3-methyl-1,2-benzoxazole
CID 169290155
2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290300
2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
CID 169235929
2-(difluoromethyl)-5-[5-fluoro-6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235861
2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284073
6-ethoxy-3-methyl-1,2-benzoxazole
CID 119094129
2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290183
5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine
CID 169290115
2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole
CID 170284032
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
2-(1-fluoroethyl)-5-[6-[(3-fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284084

Frequently Asked Questions

What is the IUPAC name of 6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole (CID 170284167) is 6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole is Cc1noc2cc(OCc3ncc(-c4nnc(C(C)F)o4)cc3F)ccc12.
What is the InChIKey of 6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The InChIKey is JFQRUMWFQYNGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3/c1-9(19)17-22-23-18(26-17)11-5-14(20)15(21-7-11)8-25-12-3-4-13-10(2)24-27-16(13)6-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole has a molecular weight of 372.33 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 170284167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).