(3-(4-((3-(Hydroxymethyl)-3-methylpyrrolidin-1-yl)methyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

HCID 56599063

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(CO)CCN(Cc2ccc(OC3CN(C(=O)c4nnc(-c5ccccc5)o4)C3)cc2)C1
InChIKey: NTGHXNNBXJSFSF-UHFFFAOYSA-N
Molecular formula: C25H28N4O4
Average molar mass: 448.5 g/mol
Monoisotopic mass: 448.21105539

Names & identifiers

Preferred name: (3-(4-((3-(Hydroxymethyl)-3-methylpyrrolidin-1-yl)methyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
IUPAC: [3-[4-[[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

Names & synonyms

SCHEMBL321627NTGHXNNBXJSFSF-UHFFFAOYSA-N(3-(4-((3-(hydroxymethyl)-3-methylpyrrolidin-1-yl)methyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

Database identifiers

PubChem CID: 56599063

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 91.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 661

Related reactions

2 records

New reaction record

HRID 1035258As productuspto-grants-2013_10

HRID 1230589As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

Loading…