4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine

C10H6F3IN2O2 — CID 112749238

IUPAC4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(OC(F)(F)F)c2)c1I
InChIInChI=1S/C10H6F3IN2O2/c11-10(12,13)17-6-3-1-2-5(4-6)8-7(14)9(15)16-18-8/h1-4H,(H2,15,16)
InChIKeyWOEGVDNJGZKTGF-UHFFFAOYSA-N
MW370.07 g/mol
LogP3.43
Rot. Bonds2

About 4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine

4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine (PubChem CID 112749238) has the molecular formula C10H6F3IN2O2 and a molecular weight of 370.07 g/mol. Its IUPAC name is 4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine
PubChem CID112749238
Molecular FormulaC10H6F3IN2O2
Molecular Weight370.07 g/mol
Exact Mass369.94
IUPAC Name4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(OC(F)(F)F)c2)c1I
InChIInChI=1S/C10H6F3IN2O2/c11-10(12,13)17-6-3-1-2-5(4-6)8-7(14)9(15)16-18-8/h1-4H,(H2,15,16)
InChIKeyWOEGVDNJGZKTGF-UHFFFAOYSA-N
XLogP3.43
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.07
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine (CID 112749238) is 4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine is Nc1noc(-c2cccc(OC(F)(F)F)c2)c1I.
What is the InChIKey of 4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine?
The InChIKey is WOEGVDNJGZKTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3IN2O2/c11-10(12,13)17-6-3-1-2-5(4-6)8-7(14)9(15)16-18-8/h1-4H,(H2,15,16).
What are the key properties of 4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine?
4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine has a molecular weight of 370.07 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 112749238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).