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

C9H6INO — CID 45142327

IUPAC2-iodo-4-phenyl-1,3-oxazole
SMILESIc1nc(-c2ccccc2)co1
InChIInChI=1S/C9H6INO/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyQMZJDMNRLIZTAI-UHFFFAOYSA-N
MW271.06 g/mol
LogP2.95
Rot. Bonds1

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

2-iodo-4-phenyl-1,3-oxazole (PubChem CID 45142327) has the molecular formula C9H6INO and a molecular weight of 271.06 g/mol. Its IUPAC name is 2-iodo-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-iodo-4-phenyl-1,3-oxazole
PubChem CID45142327
Molecular FormulaC9H6INO
Molecular Weight271.06 g/mol
Exact Mass270.95
IUPAC Name2-iodo-4-phenyl-1,3-oxazole
SMILESIc1nc(-c2ccccc2)co1
InChIInChI=1S/C9H6INO/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyQMZJDMNRLIZTAI-UHFFFAOYSA-N
XLogP2.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 52.95
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

Diphenyloxazole
CID 168750
4-Phenyl-1,3-oxazole
CID 589279
(Z)-1-(4-phenyloxazol-2-yl)octadec-9-en-1-one
CID 10070106
7-Phenyl-1-(4-phenyloxazol-2-yl)heptan-1-one
CID 44554614
4-Methyl-2-phenyl-1,3-oxazole
CID 594333
4-(2''-(Trifluoromethyl)biphenyl-3-yl)oxazole
CID 11460438
Oxazole, 2-methyl-4-phenyl-
CID 88639
4-Phenyl-1,3-oxazol-2-amine
CID 520605
2-Methyl-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole
CID 162646494
2-Methyl-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole
CID 162649510
2-Methyl-4-(4-phenylphenyl)-1,3-oxazole
CID 162644777
2-(4-Phenyl-1,3-oxazol-2-yl)guanidine
CID 44367488

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-phenyl-1,3-oxazole?
The IUPAC name of 2-iodo-4-phenyl-1,3-oxazole (CID 45142327) is 2-iodo-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-iodo-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-iodo-4-phenyl-1,3-oxazole is Ic1nc(-c2ccccc2)co1.
What is the InChIKey of 2-iodo-4-phenyl-1,3-oxazole?
The InChIKey is QMZJDMNRLIZTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-iodo-4-phenyl-1,3-oxazole?
2-iodo-4-phenyl-1,3-oxazole has a molecular weight of 271.06 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-phenyl-1,3-oxazole is sourced from PubChem (CID 45142327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).