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

C15H9F2IN2O — CID 66201692

IUPAC4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(I)cc2)c1-c1ccc(F)cc1F
InChIInChI=1S/C15H9F2IN2O/c16-9-3-6-11(12(17)7-9)13-14(21-20-15(13)19)8-1-4-10(18)5-2-8/h1-7H,(H2,19,20)
InChIKeyDHGHONHSHUSVTJ-UHFFFAOYSA-N
MW398.15 g/mol
LogP4.47
Rot. Bonds2

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

4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine (PubChem CID 66201692) has the molecular formula C15H9F2IN2O and a molecular weight of 398.15 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
PubChem CID66201692
Molecular FormulaC15H9F2IN2O
Molecular Weight398.15 g/mol
Exact Mass397.97
IUPAC Name4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(I)cc2)c1-c1ccc(F)cc1F
InChIInChI=1S/C15H9F2IN2O/c16-9-3-6-11(12(17)7-9)13-14(21-20-15(13)19)8-1-4-10(18)5-2-8/h1-7H,(H2,19,20)
InChIKeyDHGHONHSHUSVTJ-UHFFFAOYSA-N
XLogP4.47
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.15
LogP ≤ 54.47
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-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204007
4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
4-(2,4-difluorophenyl)-5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66202082
4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
CID 104643350
4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
CID 66201306
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274
4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66201498
4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66202081
5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205001
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607
5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199313
5-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199002

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine (CID 66201692) is 4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(I)cc2)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine?
The InChIKey is DHGHONHSHUSVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2IN2O/c16-9-3-6-11(12(17)7-9)13-14(21-20-15(13)19)8-1-4-10(18)5-2-8/h1-7H,(H2,19,20).
What are the key properties of 4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine?
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine has a molecular weight of 398.15 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66201692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).