5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole

C10H12F3N3O — CID 174520949

IUPAC5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2noc([C@H]3CCNC3)n2)CC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(2-3-9)8-15-7(17-16-8)6-1-4-14-5-6/h6,14H,1-5H2/t6-/m0/s1
InChIKeyABCANVKXVJPQBF-LURJTMIESA-N
MW247.22 g/mol
LogP1.74
Rot. Bonds2

About 5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole

5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 174520949) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID174520949
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2noc([C@H]3CCNC3)n2)CC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(2-3-9)8-15-7(17-16-8)6-1-4-14-5-6/h6,14H,1-5H2/t6-/m0/s1
InChIKeyABCANVKXVJPQBF-LURJTMIESA-N
XLogP1.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole (CID 174520949) is 5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole is FC(F)(F)C1(c2noc([C@H]3CCNC3)n2)CC1.
What is the InChIKey of 5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is ABCANVKXVJPQBF-LURJTMIESA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)9(2-3-9)8-15-7(17-16-8)6-1-4-14-5-6/h6,14H,1-5H2/t6-/m0/s1.
What are the key properties of 5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 247.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 174520949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).