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

C16H18N4O2 — CID 164631597

IUPAC[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC[C@H](Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C16H18N4O2/c21-16(13-2-1-6-17-9-13)20-7-5-11(10-20)8-14-18-15(22-19-14)12-3-4-12/h1-2,6,9,11-12H,3-5,7-8,10H2/t11-/m1/s1
InChIKeyPUUVGVFRMYZTST-LLVKDONJSA-N
MW298.35 g/mol
LogP2.05
Rot. Bonds4

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

[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 164631597) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID164631597
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC[C@H](Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C16H18N4O2/c21-16(13-2-1-6-17-9-13)20-7-5-11(10-20)8-14-18-15(22-19-14)12-3-4-12/h1-2,6,9,11-12H,3-5,7-8,10H2/t11-/m1/s1
InChIKeyPUUVGVFRMYZTST-LLVKDONJSA-N
XLogP2.05
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 164631597) is [(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CC[C@H](Cc2noc(C3CC3)n2)C1.
What is the InChIKey of [(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is PUUVGVFRMYZTST-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(13-2-1-6-17-9-13)20-7-5-11(10-20)8-14-18-15(22-19-14)12-3-4-12/h1-2,6,9,11-12H,3-5,7-8,10H2/t11-/m1/s1.
What are the key properties of [(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 298.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 164631597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).