N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide

C23H19FN4O2 — CID 139009744

IUPACN-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide
SMILESO=C(NC1(c2noc(-c3cnc4c(F)cccc4c3)n2)CCCC1)c1ccccc1
InChIInChI=1S/C23H19FN4O2/c24-18-10-6-9-16-13-17(14-25-19(16)18)21-26-22(28-30-21)23(11-4-5-12-23)27-20(29)15-7-2-1-3-8-15/h1-3,6-10,13-14H,4-5,11-12H2,(H,27,29)
InChIKeyBBQMUHGDMQUIJT-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.62
Rot. Bonds4

About N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide

N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide (PubChem CID 139009744) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide.

Molecular Properties

Compound NameN-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide
PubChem CID139009744
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide
SMILESO=C(NC1(c2noc(-c3cnc4c(F)cccc4c3)n2)CCCC1)c1ccccc1
InChIInChI=1S/C23H19FN4O2/c24-18-10-6-9-16-13-17(14-25-19(16)18)21-26-22(28-30-21)23(11-4-5-12-23)27-20(29)15-7-2-1-3-8-15/h1-3,6-10,13-14H,4-5,11-12H2,(H,27,29)
InChIKeyBBQMUHGDMQUIJT-UHFFFAOYSA-N
XLogP4.62
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide?
The IUPAC name of N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide (CID 139009744) is N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide.
What is the SMILES notation for N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide?
The canonical SMILES for N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide is O=C(NC1(c2noc(-c3cnc4c(F)cccc4c3)n2)CCCC1)c1ccccc1.
What is the InChIKey of N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide?
The InChIKey is BBQMUHGDMQUIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-18-10-6-9-16-13-17(14-25-19(16)18)21-26-22(28-30-21)23(11-4-5-12-23)27-20(29)15-7-2-1-3-8-15/h1-3,6-10,13-14H,4-5,11-12H2,(H,27,29).
What are the key properties of N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide?
N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide has a molecular weight of 402.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(8-fluoroquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentyl]benzamide is sourced from PubChem (CID 139009744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).