3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole

C14H19F2N3O — CID 128848142

IUPAC3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole
SMILESFC1(F)CCC(c2noc(C34CCCN3CCC4)n2)C1
InChIInChI=1S/C14H19F2N3O/c15-14(16)6-3-10(9-14)11-17-12(20-18-11)13-4-1-7-19(13)8-2-5-13/h10H,1-9H2
InChIKeyMDPXHKXDXGWHHC-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.06
Rot. Bonds2

About 3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole

3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole (PubChem CID 128848142) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole
PubChem CID128848142
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole
SMILESFC1(F)CCC(c2noc(C34CCCN3CCC4)n2)C1
InChIInChI=1S/C14H19F2N3O/c15-14(16)6-3-10(9-14)11-17-12(20-18-11)13-4-1-7-19(13)8-2-5-13/h10H,1-9H2
InChIKeyMDPXHKXDXGWHHC-UHFFFAOYSA-N
XLogP3.06
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 176759395
(1R)-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 114215275
3-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 114215234
N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 114215246
(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114215243
4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 114216662
3-(3,3-difluorocyclopentyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole
CID 166274029
(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114215111
3-(3,3-difluorocyclopentyl)-5-[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]-1,2,4-oxadiazole
CID 166278034
1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 114216646
3-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 114215288
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole (CID 128848142) is 3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole is FC1(F)CCC(c2noc(C34CCCN3CCC4)n2)C1.
What is the InChIKey of 3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole?
The InChIKey is MDPXHKXDXGWHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-14(16)6-3-10(9-14)11-17-12(20-18-11)13-4-1-7-19(13)8-2-5-13/h10H,1-9H2.
What are the key properties of 3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole?
3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole has a molecular weight of 283.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclopentyl)-5-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 128848142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).