5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine

C14H10IN3O — CID 80523943

IUPAC5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(I)c2)c1-c1cccnc1
InChIInChI=1S/C14H10IN3O/c15-11-5-1-3-9(7-11)13-12(14(16)18-19-13)10-4-2-6-17-8-10/h1-8H,(H2,16,18)
InChIKeyVSMTUIYGWLYLTL-UHFFFAOYSA-N
MW363.16 g/mol
LogP3.59
Rot. Bonds2

About 5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine

5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 80523943) has the molecular formula C14H10IN3O and a molecular weight of 363.16 g/mol. Its IUPAC name is 5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID80523943
Molecular FormulaC14H10IN3O
Molecular Weight363.16 g/mol
Exact Mass362.99
IUPAC Name5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(I)c2)c1-c1cccnc1
InChIInChI=1S/C14H10IN3O/c15-11-5-1-3-9(7-11)13-12(14(16)18-19-13)10-4-2-6-17-8-10/h1-8H,(H2,16,18)
InChIKeyVSMTUIYGWLYLTL-UHFFFAOYSA-N
XLogP3.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524140
4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 66200724
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703
5-(3-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524169
4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 79556464
5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 107967228
5-(2,5-dimethylfuran-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524208
5-(5-bromofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524267
5-(5-chlorofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 106690695
5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80522490
5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 107954870
4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200908

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (CID 80523943) is 5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is Nc1noc(-c2cccc(I)c2)c1-c1cccnc1.
What is the InChIKey of 5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is VSMTUIYGWLYLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O/c15-11-5-1-3-9(7-11)13-12(14(16)18-19-13)10-4-2-6-17-8-10/h1-8H,(H2,16,18).
What are the key properties of 5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine has a molecular weight of 363.16 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80523943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).