5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine

C13H8FIN2O — CID 114088309

IUPAC5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)c3ccccc23)c1I
InChIInChI=1S/C13H8FIN2O/c14-10-6-5-9(7-3-1-2-4-8(7)10)12-11(15)13(16)17-18-12/h1-6H,(H2,16,17)
InChIKeyBKFKFXXTZZBZFF-UHFFFAOYSA-N
MW354.12 g/mol
LogP3.82
Rot. Bonds1

About 5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine

5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 114088309) has the molecular formula C13H8FIN2O and a molecular weight of 354.12 g/mol. Its IUPAC name is 5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine
PubChem CID114088309
Molecular FormulaC13H8FIN2O
Molecular Weight354.12 g/mol
Exact Mass353.97
IUPAC Name5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)c3ccccc23)c1I
InChIInChI=1S/C13H8FIN2O/c14-10-6-5-9(7-3-1-2-4-8(7)10)12-11(15)13(16)17-18-12/h1-6H,(H2,16,17)
InChIKeyBKFKFXXTZZBZFF-UHFFFAOYSA-N
XLogP3.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 53.82
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

5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555471
5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555967
5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine
CID 81284166
5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 114561338
5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556466
5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine
CID 106690691
4-(2,4-difluorophenyl)-5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66202082
4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 79556464
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213
5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556789
5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 82878281
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine (CID 114088309) is 5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(-c2ccc(F)c3ccccc23)c1I.
What is the InChIKey of 5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is BKFKFXXTZZBZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2O/c14-10-6-5-9(7-3-1-2-4-8(7)10)12-11(15)13(16)17-18-12/h1-6H,(H2,16,17).
What are the key properties of 5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine?
5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 354.12 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 114088309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).