1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one

C19H18N4O3 — CID 126816355

IUPAC1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nc(-c3cccc(CN4CCCC4=O)c3)no2)nc1
InChIInChI=1S/C19H18N4O3/c1-25-15-7-8-16(20-11-15)19-21-18(22-26-19)14-5-2-4-13(10-14)12-23-9-3-6-17(23)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3
InChIKeyLRASSLDFUIDRAL-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.93
Rot. Bonds5

About 1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one

1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 126816355) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one
PubChem CID126816355
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nc(-c3cccc(CN4CCCC4=O)c3)no2)nc1
InChIInChI=1S/C19H18N4O3/c1-25-15-7-8-16(20-11-15)19-21-18(22-26-19)14-5-2-4-13(10-14)12-23-9-3-6-17(23)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3
InChIKeyLRASSLDFUIDRAL-UHFFFAOYSA-N
XLogP2.93
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one (CID 126816355) is 1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one is COc1ccc(-c2nc(-c3cccc(CN4CCCC4=O)c3)no2)nc1.
What is the InChIKey of 1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is LRASSLDFUIDRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-15-7-8-16(20-11-15)19-21-18(22-26-19)14-5-2-4-13(10-14)12-23-9-3-6-17(23)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3.
What are the key properties of 1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 350.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 126816355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).