[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone

C19H17N3O2 — CID 665477

IUPAC[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCCC1
InChIInChI=1S/C19H17N3O2/c23-19(22-12-6-7-13-22)16-11-5-4-10-15(16)18-20-17(21-24-18)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKeyUCIYNHANRHIVCN-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.64
Rot. Bonds3

About [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone

[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 665477) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID665477
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCCC1
InChIInChI=1S/C19H17N3O2/c23-19(22-12-6-7-13-22)16-11-5-4-10-15(16)18-20-17(21-24-18)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKeyUCIYNHANRHIVCN-UHFFFAOYSA-N
XLogP3.64
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 665477) is [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCCC1.
What is the InChIKey of [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is UCIYNHANRHIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(22-12-6-7-13-22)16-11-5-4-10-15(16)18-20-17(21-24-18)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2.
What are the key properties of [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone?
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 319.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 665477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).