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

C15H10FIN2O — CID 43336038

IUPAC4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(I)cc2)c1-c1cccc(F)c1
InChIInChI=1S/C15H10FIN2O/c16-11-3-1-2-10(8-11)13-14(19-20-15(13)18)9-4-6-12(17)7-5-9/h1-8H,18H2
InChIKeyWFPQGYOEQTWAMB-UHFFFAOYSA-N
MW380.16 g/mol
LogP4.33
Rot. Bonds2

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

4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine (PubChem CID 43336038) has the molecular formula C15H10FIN2O and a molecular weight of 380.16 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
PubChem CID43336038
Molecular FormulaC15H10FIN2O
Molecular Weight380.16 g/mol
Exact Mass379.98
IUPAC Name4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(I)cc2)c1-c1cccc(F)c1
InChIInChI=1S/C15H10FIN2O/c16-11-3-1-2-10(8-11)13-14(19-20-15(13)18)9-4-6-12(17)7-5-9/h1-8H,18H2
InChIKeyWFPQGYOEQTWAMB-UHFFFAOYSA-N
XLogP4.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
CID 43335540
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335733
4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 65153153
3-(2,5-dimethylfuran-3-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 43336035
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941
4-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-amine
CID 63213917
4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 62829774

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine (CID 43336038) is 4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(I)cc2)c1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine?
The InChIKey is WFPQGYOEQTWAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIN2O/c16-11-3-1-2-10(8-11)13-14(19-20-15(13)18)9-4-6-12(17)7-5-9/h1-8H,18H2.
What are the key properties of 4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine?
4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine has a molecular weight of 380.16 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43336038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).