5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide

C15H24IN5O — CID 167878547

IUPAC5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide
SMILESCC(C)c1nc(C2CCCN2CCCc2cn[nH]c2)no1.I
InChIInChI=1S/C15H23N5O.HI/c1-11(2)15-18-14(19-21-15)13-6-4-8-20(13)7-3-5-12-9-16-17-10-12;/h9-11,13H,3-8H2,1-2H3,(H,16,17);1H
InChIKeyLTNDWAQLJWTOBX-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.30
Rot. Bonds6

About 5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide

5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide (PubChem CID 167878547) has the molecular formula C15H24IN5O and a molecular weight of 417.30 g/mol. Its IUPAC name is 5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide.

Molecular Properties

Compound Name5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide
PubChem CID167878547
Molecular FormulaC15H24IN5O
Molecular Weight417.30 g/mol
Exact Mass417.10
IUPAC Name5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide
SMILESCC(C)c1nc(C2CCCN2CCCc2cn[nH]c2)no1.I
InChIInChI=1S/C15H23N5O.HI/c1-11(2)15-18-14(19-21-15)13-6-4-8-20(13)7-3-5-12-9-16-17-10-12;/h9-11,13H,3-8H2,1-2H3,(H,16,17);1H
InChIKeyLTNDWAQLJWTOBX-UHFFFAOYSA-N
XLogP3.30
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide?
The IUPAC name of 5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide (CID 167878547) is 5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide.
What is the SMILES notation for 5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide?
The canonical SMILES for 5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide is CC(C)c1nc(C2CCCN2CCCc2cn[nH]c2)no1.I.
What is the InChIKey of 5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide?
The InChIKey is LTNDWAQLJWTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.HI/c1-11(2)15-18-14(19-21-15)13-6-4-8-20(13)7-3-5-12-9-16-17-10-12;/h9-11,13H,3-8H2,1-2H3,(H,16,17);1H.
What are the key properties of 5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide?
5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide has a molecular weight of 417.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide is sourced from PubChem (CID 167878547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).