3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole

C16H18FN5O — CID 71089471

IUPAC3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCCc1nn(-c2noc(C3CCNCC3)n2)c2c(F)cccc12
InChIInChI=1S/C16H18FN5O/c1-2-13-11-4-3-5-12(17)14(11)22(20-13)16-19-15(23-21-16)10-6-8-18-9-7-10/h3-5,10,18H,2,6-9H2,1H3
InChIKeyRIZZNJJKQQGXPN-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.58
Rot. Bonds3

About 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole

3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 71089471) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID71089471
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCCc1nn(-c2noc(C3CCNCC3)n2)c2c(F)cccc12
InChIInChI=1S/C16H18FN5O/c1-2-13-11-4-3-5-12(17)14(11)22(20-13)16-19-15(23-21-16)10-6-8-18-9-7-10/h3-5,10,18H,2,6-9H2,1H3
InChIKeyRIZZNJJKQQGXPN-UHFFFAOYSA-N
XLogP2.58
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 71089471) is 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole is CCc1nn(-c2noc(C3CCNCC3)n2)c2c(F)cccc12.
What is the InChIKey of 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is RIZZNJJKQQGXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-2-13-11-4-3-5-12(17)14(11)22(20-13)16-19-15(23-21-16)10-6-8-18-9-7-10/h3-5,10,18H,2,6-9H2,1H3.
What are the key properties of 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 315.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 71089471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).