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

C15H18N4O2 — CID 164641152

IUPAC[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1nc(CC[C@H]2CCN(C(=O)c3cccnc3)C2)no1
InChIInChI=1S/C15H18N4O2/c1-11-17-14(18-21-11)5-4-12-6-8-19(10-12)15(20)13-3-2-7-16-9-13/h2-3,7,9,12H,4-6,8,10H2,1H3/t12-/m0/s1
InChIKeyPFJIJNGMYOTAGU-LBPRGKRZSA-N
MW286.33 g/mol
LogP1.87
Rot. Bonds4

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

[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 164641152) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID164641152
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1nc(CC[C@H]2CCN(C(=O)c3cccnc3)C2)no1
InChIInChI=1S/C15H18N4O2/c1-11-17-14(18-21-11)5-4-12-6-8-19(10-12)15(20)13-3-2-7-16-9-13/h2-3,7,9,12H,4-6,8,10H2,1H3/t12-/m0/s1
InChIKeyPFJIJNGMYOTAGU-LBPRGKRZSA-N
XLogP1.87
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 164641152) is [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is Cc1nc(CC[C@H]2CCN(C(=O)c3cccnc3)C2)no1.
What is the InChIKey of [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is PFJIJNGMYOTAGU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-17-14(18-21-11)5-4-12-6-8-19(10-12)15(20)13-3-2-7-16-9-13/h2-3,7,9,12H,4-6,8,10H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 286.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 164641152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).