4-(2-iodo-1,3-oxazol-4-yl)benzonitrile

C10H5IN2O — CID 68902484

IUPAC4-(2-iodo-1,3-oxazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2coc(I)n2)cc1
InChIInChI=1S/C10H5IN2O/c11-10-13-9(6-14-10)8-3-1-7(5-12)2-4-8/h1-4,6H
InChIKeyJNPXBGQUONFCGU-UHFFFAOYSA-N
MW296.07 g/mol
LogP2.82
Rot. Bonds1

About 4-(2-iodo-1,3-oxazol-4-yl)benzonitrile

4-(2-iodo-1,3-oxazol-4-yl)benzonitrile (PubChem CID 68902484) has the molecular formula C10H5IN2O and a molecular weight of 296.07 g/mol. Its IUPAC name is 4-(2-iodo-1,3-oxazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-iodo-1,3-oxazol-4-yl)benzonitrile
PubChem CID68902484
Molecular FormulaC10H5IN2O
Molecular Weight296.07 g/mol
Exact Mass295.94
IUPAC Name4-(2-iodo-1,3-oxazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2coc(I)n2)cc1
InChIInChI=1S/C10H5IN2O/c11-10-13-9(6-14-10)8-3-1-7(5-12)2-4-8/h1-4,6H
InChIKeyJNPXBGQUONFCGU-UHFFFAOYSA-N
XLogP2.82
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-iodo-1,3-oxazol-4-yl)benzonitrile?
The IUPAC name of 4-(2-iodo-1,3-oxazol-4-yl)benzonitrile (CID 68902484) is 4-(2-iodo-1,3-oxazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(2-iodo-1,3-oxazol-4-yl)benzonitrile?
The canonical SMILES for 4-(2-iodo-1,3-oxazol-4-yl)benzonitrile is N#Cc1ccc(-c2coc(I)n2)cc1.
What is the InChIKey of 4-(2-iodo-1,3-oxazol-4-yl)benzonitrile?
The InChIKey is JNPXBGQUONFCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5IN2O/c11-10-13-9(6-14-10)8-3-1-7(5-12)2-4-8/h1-4,6H.
What are the key properties of 4-(2-iodo-1,3-oxazol-4-yl)benzonitrile?
4-(2-iodo-1,3-oxazol-4-yl)benzonitrile has a molecular weight of 296.07 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodo-1,3-oxazol-4-yl)benzonitrile is sourced from PubChem (CID 68902484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).