3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one

C15H17N3O2 — CID 665520

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)no1)N1CCCC1
InChIInChI=1S/C15H17N3O2/c19-14(18-10-4-5-11-18)9-8-13-16-15(17-20-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKeyKRBBJPQSZFPMJS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.29
Rot. Bonds4

About 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 665520) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID665520
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)no1)N1CCCC1
InChIInChI=1S/C15H17N3O2/c19-14(18-10-4-5-11-18)9-8-13-16-15(17-20-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKeyKRBBJPQSZFPMJS-UHFFFAOYSA-N
XLogP2.29
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 665520) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1nc(-c2ccccc2)no1)N1CCCC1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KRBBJPQSZFPMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14(18-10-4-5-11-18)9-8-13-16-15(17-20-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2.
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 271.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 665520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).