3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole

C14H16FN5OS — CID 171326859

IUPAC3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC1(c2nc(C3CC3)no2)CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C14H16FN5OS/c15-14(12-16-10(18-21-12)8-1-2-8)5-6-20(7-14)13-17-11(19-22-13)9-3-4-9/h8-9H,1-7H2
InChIKeyQYKZEEHBLZHUCJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.75
Rot. Bonds4

About 3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 171326859) has the molecular formula C14H16FN5OS and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID171326859
Molecular FormulaC14H16FN5OS
Molecular Weight321.38 g/mol
Exact Mass321.11
IUPAC Name3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC1(c2nc(C3CC3)no2)CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C14H16FN5OS/c15-14(12-16-10(18-21-12)8-1-2-8)5-6-20(7-14)13-17-11(19-22-13)9-3-4-9/h8-9H,1-7H2
InChIKeyQYKZEEHBLZHUCJ-UHFFFAOYSA-N
XLogP2.75
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole (CID 171326859) is 3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole is FC1(c2nc(C3CC3)no2)CCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is QYKZEEHBLZHUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5OS/c15-14(12-16-10(18-21-12)8-1-2-8)5-6-20(7-14)13-17-11(19-22-13)9-3-4-9/h8-9H,1-7H2.
What are the key properties of 3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 321.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 171326859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).