3-(1,2-oxazol-4-ylmethoxy)benzonitrile

C11H8N2O2 — CID 60871497

IUPAC3-(1,2-oxazol-4-ylmethoxy)benzonitrile
SMILESN#Cc1cccc(OCc2cnoc2)c1
InChIInChI=1S/C11H8N2O2/c12-5-9-2-1-3-11(4-9)14-7-10-6-13-15-8-10/h1-4,6,8H,7H2
InChIKeyRTEPMLAZVISKIN-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.13
Rot. Bonds3

About 3-(1,2-oxazol-4-ylmethoxy)benzonitrile

3-(1,2-oxazol-4-ylmethoxy)benzonitrile (PubChem CID 60871497) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-(1,2-oxazol-4-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name3-(1,2-oxazol-4-ylmethoxy)benzonitrile
PubChem CID60871497
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name3-(1,2-oxazol-4-ylmethoxy)benzonitrile
SMILESN#Cc1cccc(OCc2cnoc2)c1
InChIInChI=1S/C11H8N2O2/c12-5-9-2-1-3-11(4-9)14-7-10-6-13-15-8-10/h1-4,6,8H,7H2
InChIKeyRTEPMLAZVISKIN-UHFFFAOYSA-N
XLogP2.13
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 61388584
3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 61230060
1-[3-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 60870530
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
4-[(4-fluorophenoxy)methyl]-1,2-oxazole
CID 61227729
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
4-[(3-cyanophenoxy)methyl]-3-methylbenzonitrile
CID 114481500
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
5-[(3-cyanophenoxy)methyl]-1,2-oxazole-4-carboxylic acid
CID 112753406
3-[(3-amino-4-bromophenyl)methoxy]benzonitrile
CID 115557475
3-(1H-indazol-5-yloxymethyl)benzonitrile
CID 18447114

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-4-ylmethoxy)benzonitrile?
The IUPAC name of 3-(1,2-oxazol-4-ylmethoxy)benzonitrile (CID 60871497) is 3-(1,2-oxazol-4-ylmethoxy)benzonitrile.
What is the SMILES notation for 3-(1,2-oxazol-4-ylmethoxy)benzonitrile?
The canonical SMILES for 3-(1,2-oxazol-4-ylmethoxy)benzonitrile is N#Cc1cccc(OCc2cnoc2)c1.
What is the InChIKey of 3-(1,2-oxazol-4-ylmethoxy)benzonitrile?
The InChIKey is RTEPMLAZVISKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c12-5-9-2-1-3-11(4-9)14-7-10-6-13-15-8-10/h1-4,6,8H,7H2.
What are the key properties of 3-(1,2-oxazol-4-ylmethoxy)benzonitrile?
3-(1,2-oxazol-4-ylmethoxy)benzonitrile has a molecular weight of 200.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-4-ylmethoxy)benzonitrile is sourced from PubChem (CID 60871497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).