5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole

C18H21FN4O — CID 167795714

IUPAC5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole
SMILESFC1(c2nc(-c3ccc4c(n3)CCCC4)no2)CNCC1C1CC1
InChIInChI=1S/C18H21FN4O/c19-18(10-20-9-13(18)11-5-6-11)17-22-16(23-24-17)15-8-7-12-3-1-2-4-14(12)21-15/h7-8,11,13,20H,1-6,9-10H2
InChIKeyPVJDHOKKIFXUOK-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.80
Rot. Bonds3

About 5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole

5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole (PubChem CID 167795714) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole
PubChem CID167795714
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole
SMILESFC1(c2nc(-c3ccc4c(n3)CCCC4)no2)CNCC1C1CC1
InChIInChI=1S/C18H21FN4O/c19-18(10-20-9-13(18)11-5-6-11)17-22-16(23-24-17)15-8-7-12-3-1-2-4-14(12)21-15/h7-8,11,13,20H,1-6,9-10H2
InChIKeyPVJDHOKKIFXUOK-UHFFFAOYSA-N
XLogP2.80
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole (CID 167795714) is 5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole is FC1(c2nc(-c3ccc4c(n3)CCCC4)no2)CNCC1C1CC1.
What is the InChIKey of 5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole?
The InChIKey is PVJDHOKKIFXUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-18(10-20-9-13(18)11-5-6-11)17-22-16(23-24-17)15-8-7-12-3-1-2-4-14(12)21-15/h7-8,11,13,20H,1-6,9-10H2.
What are the key properties of 5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole?
5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole has a molecular weight of 328.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-3-fluoropyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167795714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).