1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one

C19H19N5O3 — CID 57433639

IUPAC1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one
SMILESCc1nc(-c2ccc(Oc3ccc(N)c(CN4CCCC4=O)c3)cn2)no1
InChIInChI=1S/C19H19N5O3/c1-12-22-19(23-27-12)17-7-5-15(10-21-17)26-14-4-6-16(20)13(9-14)11-24-8-2-3-18(24)25/h4-7,9-10H,2-3,8,11,20H2,1H3
InChIKeyNNIVNWUQRYFZFK-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.94
Rot. Bonds5

About 1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one

1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one (PubChem CID 57433639) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one
PubChem CID57433639
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one
SMILESCc1nc(-c2ccc(Oc3ccc(N)c(CN4CCCC4=O)c3)cn2)no1
InChIInChI=1S/C19H19N5O3/c1-12-22-19(23-27-12)17-7-5-15(10-21-17)26-14-4-6-16(20)13(9-14)11-24-8-2-3-18(24)25/h4-7,9-10H,2-3,8,11,20H2,1H3
InChIKeyNNIVNWUQRYFZFK-UHFFFAOYSA-N
XLogP2.94
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one (CID 57433639) is 1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one is Cc1nc(-c2ccc(Oc3ccc(N)c(CN4CCCC4=O)c3)cn2)no1.
What is the InChIKey of 1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is NNIVNWUQRYFZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12-22-19(23-27-12)17-7-5-15(10-21-17)26-14-4-6-16(20)13(9-14)11-24-8-2-3-18(24)25/h4-7,9-10H,2-3,8,11,20H2,1H3.
What are the key properties of 1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one?
1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 365.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-5-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 57433639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).