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

C11H7ClN2O2 — CID 114322638

IUPAC4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCc1cnoc1
InChIInChI=1S/C11H7ClN2O2/c12-10-2-1-9(4-13)11(3-10)15-6-8-5-14-16-7-8/h1-3,5,7H,6H2
InChIKeyXYAPMCKKHZFKSX-UHFFFAOYSA-N
MW234.64 g/mol
LogP2.78
Rot. Bonds3

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

4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile (PubChem CID 114322638) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile
PubChem CID114322638
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCc1cnoc1
InChIInChI=1S/C11H7ClN2O2/c12-10-2-1-9(4-13)11(3-10)15-6-8-5-14-16-7-8/h1-3,5,7H,6H2
InChIKeyXYAPMCKKHZFKSX-UHFFFAOYSA-N
XLogP2.78
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid
CID 61223691
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
CID 113277305
4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 112630475
2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
CID 63082961
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzonitrile
CID 114322730
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
3-amino-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 61388584
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile?
The IUPAC name of 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile (CID 114322638) is 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile.
What is the SMILES notation for 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile?
The canonical SMILES for 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile is N#Cc1ccc(Cl)cc1OCc1cnoc1.
What is the InChIKey of 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile?
The InChIKey is XYAPMCKKHZFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-10-2-1-9(4-13)11(3-10)15-6-8-5-14-16-7-8/h1-3,5,7H,6H2.
What are the key properties of 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile?
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile has a molecular weight of 234.64 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile is sourced from PubChem (CID 114322638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).