3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole

C18H19FN4O3 — CID 126816124

IUPAC3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc([C@@H]3CCO[C@H]3c3ccnn3C)n2)c(F)c1
InChIInChI=1S/C18H19FN4O3/c1-23-15(5-7-20-23)17-13(6-8-25-17)18-21-16(22-26-18)9-11-3-4-12(24-2)10-14(11)19/h3-5,7,10,13,17H,6,8-9H2,1-2H3/t13-,17-/m1/s1
InChIKeyHUFKGQOSFRYNAY-CXAGYDPISA-N
MW358.37 g/mol
LogP2.79
Rot. Bonds5

About 3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole

3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 126816124) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID126816124
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc([C@@H]3CCO[C@H]3c3ccnn3C)n2)c(F)c1
InChIInChI=1S/C18H19FN4O3/c1-23-15(5-7-20-23)17-13(6-8-25-17)18-21-16(22-26-18)9-11-3-4-12(24-2)10-14(11)19/h3-5,7,10,13,17H,6,8-9H2,1-2H3/t13-,17-/m1/s1
InChIKeyHUFKGQOSFRYNAY-CXAGYDPISA-N
XLogP2.79
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole (CID 126816124) is 3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole is COc1ccc(Cc2noc([C@@H]3CCO[C@H]3c3ccnn3C)n2)c(F)c1.
What is the InChIKey of 3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is HUFKGQOSFRYNAY-CXAGYDPISA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-23-15(5-7-20-23)17-13(6-8-25-17)18-21-16(22-26-18)9-11-3-4-12(24-2)10-14(11)19/h3-5,7,10,13,17H,6,8-9H2,1-2H3/t13-,17-/m1/s1.
What are the key properties of 3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole?
3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 358.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-methoxyphenyl)methyl]-5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 126816124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).