3-chloro-4-iodo-5-phenyl-1,2-oxazole

C9H5ClINO — CID 122223983

IUPAC3-chloro-4-iodo-5-phenyl-1,2-oxazole
SMILESClc1noc(-c2ccccc2)c1I
InChIInChI=1S/C9H5ClINO/c10-9-7(11)8(13-12-9)6-4-2-1-3-5-6/h1-5H
InChIKeyLXMUGJDVOGMXKU-UHFFFAOYSA-N
MW305.50 g/mol
LogP3.60
Rot. Bonds1

About 3-chloro-4-iodo-5-phenyl-1,2-oxazole

3-chloro-4-iodo-5-phenyl-1,2-oxazole (PubChem CID 122223983) has the molecular formula C9H5ClINO and a molecular weight of 305.50 g/mol. Its IUPAC name is 3-chloro-4-iodo-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-chloro-4-iodo-5-phenyl-1,2-oxazole
PubChem CID122223983
Molecular FormulaC9H5ClINO
Molecular Weight305.50 g/mol
Exact Mass304.91
IUPAC Name3-chloro-4-iodo-5-phenyl-1,2-oxazole
SMILESClc1noc(-c2ccccc2)c1I
InChIInChI=1S/C9H5ClINO/c10-9-7(11)8(13-12-9)6-4-2-1-3-5-6/h1-5H
InChIKeyLXMUGJDVOGMXKU-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-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 141290012
3-chloro-5-phenyl-4-propyl-1,2-oxazole
CID 91731597
2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
CID 19596727
4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 79556464
5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199313
3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole
CID 67513146
4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 79556130
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556783
3,5-diphenyl-1,2-oxazol-4-amine
CID 15554723
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-5-phenyl-1,2-oxazole?
The IUPAC name of 3-chloro-4-iodo-5-phenyl-1,2-oxazole (CID 122223983) is 3-chloro-4-iodo-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-chloro-4-iodo-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-chloro-4-iodo-5-phenyl-1,2-oxazole is Clc1noc(-c2ccccc2)c1I.
What is the InChIKey of 3-chloro-4-iodo-5-phenyl-1,2-oxazole?
The InChIKey is LXMUGJDVOGMXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClINO/c10-9-7(11)8(13-12-9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 3-chloro-4-iodo-5-phenyl-1,2-oxazole?
3-chloro-4-iodo-5-phenyl-1,2-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 3-chloro-4-iodo-5-phenyl-1,2-oxazole is sourced from PubChem (CID 122223983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).