ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole

C10H11IN2O — CID 144804374

IUPACethane;3-iodo-5-pyridin-2-yl-1,2-oxazole
SMILESCC.Ic1cc(-c2ccccn2)on1
InChIInChI=1S/C8H5IN2O.C2H6/c9-8-5-7(12-11-8)6-3-1-2-4-10-6;1-2/h1-5H;1-2H3
InChIKeyCCCPVVGVQOVVKP-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.37
Rot. Bonds1

About ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole

ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole (PubChem CID 144804374) has the molecular formula C10H11IN2O and a molecular weight of 302.12 g/mol. Its IUPAC name is ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-iodo-5-pyridin-2-yl-1,2-oxazole
PubChem CID144804374
Molecular FormulaC10H11IN2O
Molecular Weight302.12 g/mol
Exact Mass301.99
IUPAC Nameethane;3-iodo-5-pyridin-2-yl-1,2-oxazole
SMILESCC.Ic1cc(-c2ccccn2)on1
InChIInChI=1S/C8H5IN2O.C2H6/c9-8-5-7(12-11-8)6-3-1-2-4-10-6;1-2/h1-5H;1-2H3
InChIKeyCCCPVVGVQOVVKP-UHFFFAOYSA-N
XLogP3.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propyl-5-pyridin-2-yl-1,2-oxazole
CID 89181281
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
(5-pyridin-2-yl-1,2-oxazol-3-yl)methanediol
CID 155273393
[4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine
CID 125466476
3-(2,2-dimethylbutyl)-5-pyridin-2-yl-1,2-oxazole
CID 129212609
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
N-ethyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 155273411
2-(5-pyridin-2-ylfuran-2-yl)pyridine
CID 21113617
7-iodo-2-pyridin-2-ylfuro[3,2-b]pyridine
CID 134901945
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole?
The IUPAC name of ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole (CID 144804374) is ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole.
What is the SMILES notation for ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole?
The canonical SMILES for ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole is CC.Ic1cc(-c2ccccn2)on1.
What is the InChIKey of ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole?
The InChIKey is CCCPVVGVQOVVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O.C2H6/c9-8-5-7(12-11-8)6-3-1-2-4-10-6;1-2/h1-5H;1-2H3.
What are the key properties of ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole?
ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole has a molecular weight of 302.12 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-iodo-5-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 144804374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).