[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone

C17H19N3O2 — CID 110196098

IUPAC[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C17H19N3O2/c21-17(14-4-2-1-3-5-14)20-9-8-12(11-20)10-15-18-16(22-19-15)13-6-7-13/h1-5,12-13H,6-11H2
InChIKeyZKFXKWTYVCQURN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.65
Rot. Bonds4

About [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone

[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 110196098) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID110196098
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C17H19N3O2/c21-17(14-4-2-1-3-5-14)20-9-8-12(11-20)10-15-18-16(22-19-15)13-6-7-13/h1-5,12-13H,6-11H2
InChIKeyZKFXKWTYVCQURN-UHFFFAOYSA-N
XLogP2.65
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone (CID 110196098) is [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is ZKFXKWTYVCQURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(14-4-2-1-3-5-14)20-9-8-12(11-20)10-15-18-16(22-19-15)13-6-7-13/h1-5,12-13H,6-11H2.
What are the key properties of [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone?
[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 297.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110196098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).