4-(4-chlorophenyl)-2-iodo-1,3-oxazole

C9H5ClINO — CID 102974677

IUPAC4-(4-chlorophenyl)-2-iodo-1,3-oxazole
SMILESClc1ccc(-c2coc(I)n2)cc1
InChIInChI=1S/C9H5ClINO/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H
InChIKeyHPHVUPURWVQNIT-UHFFFAOYSA-N
MW305.50 g/mol
LogP3.60
Rot. Bonds1

About 4-(4-chlorophenyl)-2-iodo-1,3-oxazole

4-(4-chlorophenyl)-2-iodo-1,3-oxazole (PubChem CID 102974677) has the molecular formula C9H5ClINO and a molecular weight of 305.50 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-iodo-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-iodo-1,3-oxazole
PubChem CID102974677
Molecular FormulaC9H5ClINO
Molecular Weight305.50 g/mol
Exact Mass304.91
IUPAC Name4-(4-chlorophenyl)-2-iodo-1,3-oxazole
SMILESClc1ccc(-c2coc(I)n2)cc1
InChIInChI=1S/C9H5ClINO/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H
InChIKeyHPHVUPURWVQNIT-UHFFFAOYSA-N
XLogP3.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-iodo-1,3-oxazol-4-yl)benzonitrile
CID 68902484
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole
CID 45139288
2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 155675192
2-chloro-4-(4-methylphenyl)-1,3-oxazole
CID 21408388
4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole
CID 102974675
4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole
CID 102974686
4-(2-chloro-1,3-oxazol-4-yl)phenol
CID 105449569
4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole
CID 59402951
3,6-bis(4-chlorophenyl)pyridazine
CID 11197367
1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392806
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-iodo-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2-iodo-1,3-oxazole (CID 102974677) is 4-(4-chlorophenyl)-2-iodo-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-iodo-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-iodo-1,3-oxazole is Clc1ccc(-c2coc(I)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-iodo-1,3-oxazole?
The InChIKey is HPHVUPURWVQNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClINO/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H.
What are the key properties of 4-(4-chlorophenyl)-2-iodo-1,3-oxazole?
4-(4-chlorophenyl)-2-iodo-1,3-oxazole has a molecular weight of 305.50 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-iodo-1,3-oxazole is sourced from PubChem (CID 102974677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).