4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol

C17H20FN5O2 — CID 71089497

IUPAC4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESCC(C)c1nn(-c2noc(C3(O)CCNCC3)n2)c2c(F)cccc12
InChIInChI=1S/C17H20FN5O2/c1-10(2)13-11-4-3-5-12(18)14(11)23(21-13)16-20-15(25-22-16)17(24)6-8-19-9-7-17/h3-5,10,19,24H,6-9H2,1-2H3
InChIKeyRSCVGVJQCXOUAY-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.24
Rot. Bonds3

About 4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol

4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol (PubChem CID 71089497) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
PubChem CID71089497
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESCC(C)c1nn(-c2noc(C3(O)CCNCC3)n2)c2c(F)cccc12
InChIInChI=1S/C17H20FN5O2/c1-10(2)13-11-4-3-5-12(18)14(11)23(21-13)16-20-15(25-22-16)17(24)6-8-19-9-7-17/h3-5,10,19,24H,6-9H2,1-2H3
InChIKeyRSCVGVJQCXOUAY-UHFFFAOYSA-N
XLogP2.24
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol (CID 71089497) is 4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol is CC(C)c1nn(-c2noc(C3(O)CCNCC3)n2)c2c(F)cccc12.
What is the InChIKey of 4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The InChIKey is RSCVGVJQCXOUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-10(2)13-11-4-3-5-12(18)14(11)23(21-13)16-20-15(25-22-16)17(24)6-8-19-9-7-17/h3-5,10,19,24H,6-9H2,1-2H3.
What are the key properties of 4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol has a molecular weight of 345.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 71089497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).