N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide

C19H20N6O3 — CID 91909408

IUPACN-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Oc2ccccc2-c2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C19H20N6O3/c1-2-21-19(26)25-10-7-13(12-25)27-16-6-4-3-5-14(16)18-23-17(24-28-18)15-11-20-8-9-22-15/h3-6,8-9,11,13H,2,7,10,12H2,1H3,(H,21,26)
InChIKeyQPIPNAOAFTUARU-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.38
Rot. Bonds5

About N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide

N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide (PubChem CID 91909408) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide
PubChem CID91909408
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Oc2ccccc2-c2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C19H20N6O3/c1-2-21-19(26)25-10-7-13(12-25)27-16-6-4-3-5-14(16)18-23-17(24-28-18)15-11-20-8-9-22-15/h3-6,8-9,11,13H,2,7,10,12H2,1H3,(H,21,26)
InChIKeyQPIPNAOAFTUARU-UHFFFAOYSA-N
XLogP2.38
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide (CID 91909408) is N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide is CCNC(=O)N1CCC(Oc2ccccc2-c2nc(-c3cnccn3)no2)C1.
What is the InChIKey of N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide?
The InChIKey is QPIPNAOAFTUARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-2-21-19(26)25-10-7-13(12-25)27-16-6-4-3-5-14(16)18-23-17(24-28-18)15-11-20-8-9-22-15/h3-6,8-9,11,13H,2,7,10,12H2,1H3,(H,21,26).
What are the key properties of N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide?
N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91909408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).