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

C14H9ClIN3O — CID 103222608

IUPAC5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(I)c(Cl)c2)c1-c1ccccn1
InChIInChI=1S/C14H9ClIN3O/c15-9-7-8(4-5-10(9)16)13-12(14(17)19-20-13)11-3-1-2-6-18-11/h1-7H,(H2,17,19)
InChIKeyZTPSTYMQGHXTPX-UHFFFAOYSA-N
MW397.60 g/mol
LogP4.24
Rot. Bonds2

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

5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine (PubChem CID 103222608) has the molecular formula C14H9ClIN3O and a molecular weight of 397.60 g/mol. Its IUPAC name is 5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
PubChem CID103222608
Molecular FormulaC14H9ClIN3O
Molecular Weight397.60 g/mol
Exact Mass396.95
IUPAC Name5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(I)c(Cl)c2)c1-c1ccccn1
InChIInChI=1S/C14H9ClIN3O/c15-9-7-8(4-5-10(9)16)13-12(14(17)19-20-13)11-3-1-2-6-18-11/h1-7H,(H2,17,19)
InChIKeyZTPSTYMQGHXTPX-UHFFFAOYSA-N
XLogP4.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.60
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-chloro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80522847
5-(4-bromo-3-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 81307029
5-(3,5-dichlorophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521472
5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 103222593
5-(3-fluoro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80522275
4-(3,5-difluorophenyl)-5-pyridin-2-yl-1,2-oxazol-3-amine
CID 66201880
5-(3-amino-4-pyridin-2-yl-1,2-oxazol-5-yl)-1H-pyridin-2-one
CID 136742866
5-(4-chloro-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521231
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521578
5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200386

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine (CID 103222608) is 5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2ccc(I)c(Cl)c2)c1-c1ccccn1.
What is the InChIKey of 5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The InChIKey is ZTPSTYMQGHXTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClIN3O/c15-9-7-8(4-5-10(9)16)13-12(14(17)19-20-13)11-3-1-2-6-18-11/h1-7H,(H2,17,19).
What are the key properties of 5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine has a molecular weight of 397.60 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 103222608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).