2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol

C22H24FN3O3 — CID 174613823

IUPAC2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCOCc1cc(-c2nc(-c3ccc(O)c(F)c3)no2)ccc1N1CCCCC1C
InChIInChI=1S/C22H24FN3O3/c1-14-5-3-4-10-26(14)19-8-6-16(11-17(19)13-28-2)22-24-21(25-29-22)15-7-9-20(27)18(23)12-15/h6-9,11-12,14,27H,3-5,10,13H2,1-2H3
InChIKeyAWCXLCHIUVPWOB-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.77
Rot. Bonds5

About 2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol

2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 174613823) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID174613823
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCOCc1cc(-c2nc(-c3ccc(O)c(F)c3)no2)ccc1N1CCCCC1C
InChIInChI=1S/C22H24FN3O3/c1-14-5-3-4-10-26(14)19-8-6-16(11-17(19)13-28-2)22-24-21(25-29-22)15-7-9-20(27)18(23)12-15/h6-9,11-12,14,27H,3-5,10,13H2,1-2H3
InChIKeyAWCXLCHIUVPWOB-UHFFFAOYSA-N
XLogP4.77
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol (CID 174613823) is 2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol is COCc1cc(-c2nc(-c3ccc(O)c(F)c3)no2)ccc1N1CCCCC1C.
What is the InChIKey of 2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is AWCXLCHIUVPWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-14-5-3-4-10-26(14)19-8-6-16(11-17(19)13-28-2)22-24-21(25-29-22)15-7-9-20(27)18(23)12-15/h6-9,11-12,14,27H,3-5,10,13H2,1-2H3.
What are the key properties of 2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol?
2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 397.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 174613823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).