2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine

C12H7IN2O — CID 91677478

IUPAC2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine
SMILESIc1cccc(-c2nc3cnccc3o2)c1
InChIInChI=1S/C12H7IN2O/c13-9-3-1-2-8(6-9)12-15-10-7-14-5-4-11(10)16-12/h1-7H
InChIKeyVXEJVJGDOGBTLG-UHFFFAOYSA-N
MW322.11 g/mol
LogP3.49
Rot. Bonds1

About 2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine

2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 91677478) has the molecular formula C12H7IN2O and a molecular weight of 322.11 g/mol. Its IUPAC name is 2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine
PubChem CID91677478
Molecular FormulaC12H7IN2O
Molecular Weight322.11 g/mol
Exact Mass321.96
IUPAC Name2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine
SMILESIc1cccc(-c2nc3cnccc3o2)c1
InChIInChI=1S/C12H7IN2O/c13-9-3-1-2-8(6-9)12-15-10-7-14-5-4-11(10)16-12/h1-7H
InChIKeyVXEJVJGDOGBTLG-UHFFFAOYSA-N
XLogP3.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 53.49
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

2-(3-pyridin-4-ylsulfanylphenyl)-1,3-benzoxazole
CID 91529212
2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
CID 28692665
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 29130005
5-chloro-2-(3-iodophenyl)-1,3-benzoxazol-6-amine
CID 113331594
2-(3-iodophenyl)-1,3-benzoxazol-4-amine
CID 79022155
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-iodophenyl)-1,3-benzoxazol-5-amine
CID 168583468
2-(3-iodophenyl)-5-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole
CID 91682457
methyl 2-(3-iodophenyl)-1,3-benzoxazole-5-carboxylate
CID 91681322
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-phenyl-[1,3]oxazolo[5,4-c]pyridine
CID 19979601
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-3-propan-2-yloxybenzamide
CID 29139232
2-cyano-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 168521686

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine (CID 91677478) is 2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine is Ic1cccc(-c2nc3cnccc3o2)c1.
What is the InChIKey of 2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is VXEJVJGDOGBTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IN2O/c13-9-3-1-2-8(6-9)12-15-10-7-14-5-4-11(10)16-12/h1-7H.
What are the key properties of 2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine?
2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 322.11 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 91677478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).