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

C16H13IN2O2 — CID 61263311

IUPAC3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(-c3cccc(I)c3)noc2N)c1
InChIInChI=1S/C16H13IN2O2/c1-20-13-7-3-4-10(9-13)14-15(19-21-16(14)18)11-5-2-6-12(17)8-11/h2-9H,18H2,1H3
InChIKeyKIUJCSZIDHSOQG-UHFFFAOYSA-N
MW392.20 g/mol
LogP4.20
Rot. Bonds3

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

3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 61263311) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is 3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID61263311
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC Name3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(-c3cccc(I)c3)noc2N)c1
InChIInChI=1S/C16H13IN2O2/c1-20-13-7-3-4-10(9-13)14-15(19-21-16(14)18)11-5-2-6-12(17)8-11/h2-9H,18H2,1H3
InChIKeyKIUJCSZIDHSOQG-UHFFFAOYSA-N
XLogP4.20
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-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

3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 43336010
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261819
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 80644237
4-(3-methoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62678255
4-(3-methoxyphenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
CID 61262192
4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
CID 43336038
3-(4-methoxythiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 81121251

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine (CID 61263311) is 3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine is COc1cccc(-c2c(-c3cccc(I)c3)noc2N)c1.
What is the InChIKey of 3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is KIUJCSZIDHSOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2/c1-20-13-7-3-4-10(9-13)14-15(19-21-16(14)18)11-5-2-6-12(17)8-11/h2-9H,18H2,1H3.
What are the key properties of 3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 392.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 61263311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).