3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile

C13H12N2O3 — CID 103566924

IUPAC3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile
SMILESCOc1cc(C#N)cc(OCc2cc(C)no2)c1
InChIInChI=1S/C13H12N2O3/c1-9-3-13(18-15-9)8-17-12-5-10(7-14)4-11(6-12)16-2/h3-6H,8H2,1-2H3
InChIKeyPCJGIVXWNLMSNA-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.44
Rot. Bonds4

About 3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile

3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile (PubChem CID 103566924) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile
PubChem CID103566924
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile
SMILESCOc1cc(C#N)cc(OCc2cc(C)no2)c1
InChIInChI=1S/C13H12N2O3/c1-9-3-13(18-15-9)8-17-12-5-10(7-14)4-11(6-12)16-2/h3-6H,8H2,1-2H3
InChIKeyPCJGIVXWNLMSNA-UHFFFAOYSA-N
XLogP2.44
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile?
The IUPAC name of 3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile (CID 103566924) is 3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile.
What is the SMILES notation for 3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile?
The canonical SMILES for 3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile is COc1cc(C#N)cc(OCc2cc(C)no2)c1.
What is the InChIKey of 3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile?
The InChIKey is PCJGIVXWNLMSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-3-13(18-15-9)8-17-12-5-10(7-14)4-11(6-12)16-2/h3-6H,8H2,1-2H3.
What are the key properties of 3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile?
3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile has a molecular weight of 244.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile is sourced from PubChem (CID 103566924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).