2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile

C11H9N3O2 — CID 82284630

IUPAC2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile
SMILESN#CCc1noc(COc2ccccc2)n1
InChIInChI=1S/C11H9N3O2/c12-7-6-10-13-11(16-14-10)8-15-9-4-2-1-3-5-9/h1-5H,6,8H2
InChIKeyDPCYUVRRHWZIFT-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.71
Rot. Bonds4

About 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile

2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile (PubChem CID 82284630) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile
PubChem CID82284630
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile
SMILESN#CCc1noc(COc2ccccc2)n1
InChIInChI=1S/C11H9N3O2/c12-7-6-10-13-11(16-14-10)8-15-9-4-2-1-3-5-9/h1-5H,6,8H2
InChIKeyDPCYUVRRHWZIFT-UHFFFAOYSA-N
XLogP1.71
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517
4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845067
5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 56897566
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
N-methyl-N-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylacetamide
CID 50765647
5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 56896444
(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 92903063
N-methyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495346
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995
2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633124
(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide
CID 95062352

Frequently Asked Questions

What is the IUPAC name of 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile?
The IUPAC name of 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile (CID 82284630) is 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile?
The canonical SMILES for 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile is N#CCc1noc(COc2ccccc2)n1.
What is the InChIKey of 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile?
The InChIKey is DPCYUVRRHWZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-7-6-10-13-11(16-14-10)8-15-9-4-2-1-3-5-9/h1-5H,6,8H2.
What are the key properties of 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile?
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile has a molecular weight of 215.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile is sourced from PubChem (CID 82284630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).