[4-(1,3-Benzoxazol-2-yl)-2-(methoxymethoxy)phenyl]acetonitrile

HCID 21990994
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COCOc1cc(-c2nc3ccccc3o2)ccc1CC#N
InChIKey
NYWMPYKGTYDTGP-UHFFFAOYSA-N
Molecular formula
C17H14N2O3
Average molar mass
294.3 g/mol

Names & identifiers

Preferred name
[4-(1,3-Benzoxazol-2-yl)-2-(methoxymethoxy)phenyl]acetonitrile
IUPAC
2-[4-(1,3-benzoxazol-2-yl)-2-(methoxymethoxy)phenyl]acetonitrile

Names & synonyms

SCHEMBL5832237NYWMPYKGTYDTGP-UHFFFAOYSA-N[4-(1,3-benzoxazol-2-yl)-2-(methoxymethoxy)phenyl]acetonitrile

Database identifiers

PubChem CID
21990994

Properties

Computed structural properties

XLogP
3
Topological polar surface area
68.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

Loading…