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

C3HClINO — CID 144649329

IUPAC2-chloro-4-iodo-1,3-oxazole
SMILESClc1nc(I)co1
InChIInChI=1S/C3HClINO/c4-3-6-2(5)1-7-3/h1H
InChIKeyDCQQINQFZTWVNW-UHFFFAOYSA-N
MW229.40 g/mol
LogP1.93
Rot. Bonds

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

2-chloro-4-iodo-1,3-oxazole (PubChem CID 144649329) has the molecular formula C3HClINO and a molecular weight of 229.40 g/mol. Its IUPAC name is 2-chloro-4-iodo-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-iodo-1,3-oxazole
PubChem CID144649329
Molecular FormulaC3HClINO
Molecular Weight229.40 g/mol
Exact Mass228.88
IUPAC Name2-chloro-4-iodo-1,3-oxazole
SMILESClc1nc(I)co1
InChIInChI=1S/C3HClINO/c4-3-6-2(5)1-7-3/h1H
InChIKeyDCQQINQFZTWVNW-UHFFFAOYSA-N
XLogP1.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 51.93
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

2-chloro-4-methyl-1,3-oxazole;hydrochloride
CID 139022515
2-chloro-4-(4-methylphenyl)-1,3-oxazole
CID 21408388
(2-chloro-1,3-oxazol-4-yl)methanamine;hydrochloride
CID 122236264
4-(2-chloro-1,3-oxazol-4-yl)phenol
CID 105449569
2-chloro-4-cyclopropyl-1,3-oxazole
CID 91433552
(2-chloro-1,3-oxazol-4-yl)methanol;ethane
CID 143299929
2-chloro-4-phenyl-1,3-oxazole;fluorobenzene
CID 21408523
2-chloro-4-(methoxymethyl)-1,3-oxazole
CID 143299986
2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole
CID 21409118
2-chloro-1,3-oxazole-4-carboximidamide
CID 76853027
2-(2-chloro-1,3-oxazol-4-yl)phenol
CID 105449568
2-chloro-4-(2-fluorophenyl)-1,3-oxazole
CID 89389386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-1,3-oxazole?
The IUPAC name of 2-chloro-4-iodo-1,3-oxazole (CID 144649329) is 2-chloro-4-iodo-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-iodo-1,3-oxazole?
The canonical SMILES for 2-chloro-4-iodo-1,3-oxazole is Clc1nc(I)co1.
What is the InChIKey of 2-chloro-4-iodo-1,3-oxazole?
The InChIKey is DCQQINQFZTWVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClINO/c4-3-6-2(5)1-7-3/h1H.
What are the key properties of 2-chloro-4-iodo-1,3-oxazole?
2-chloro-4-iodo-1,3-oxazole has a molecular weight of 229.40 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-1,3-oxazole is sourced from PubChem (CID 144649329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).