4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol

C20H21FN4O2 — CID 143784341

IUPAC4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1cc(-c2nc(-c3cc(F)ccc3O)no2)cnc1N1CCCCC1C
InChIInChI=1S/C20H21FN4O2/c1-12-9-14(11-22-19(12)25-8-4-3-5-13(25)2)20-23-18(24-27-20)16-10-15(21)6-7-17(16)26/h6-7,9-11,13,26H,3-5,8H2,1-2H3
InChIKeyMCOPSOKQGGVQQV-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.33
Rot. Bonds3

About 4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol

4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 143784341) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID143784341
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1cc(-c2nc(-c3cc(F)ccc3O)no2)cnc1N1CCCCC1C
InChIInChI=1S/C20H21FN4O2/c1-12-9-14(11-22-19(12)25-8-4-3-5-13(25)2)20-23-18(24-27-20)16-10-15(21)6-7-17(16)26/h6-7,9-11,13,26H,3-5,8H2,1-2H3
InChIKeyMCOPSOKQGGVQQV-UHFFFAOYSA-N
XLogP4.33
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol (CID 143784341) is 4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol is Cc1cc(-c2nc(-c3cc(F)ccc3O)no2)cnc1N1CCCCC1C.
What is the InChIKey of 4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is MCOPSOKQGGVQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12-9-14(11-22-19(12)25-8-4-3-5-13(25)2)20-23-18(24-27-20)16-10-15(21)6-7-17(16)26/h6-7,9-11,13,26H,3-5,8H2,1-2H3.
What are the key properties of 4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol?
4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 368.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 143784341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).