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

C15H9ClFIN2O — CID 103222593

IUPAC5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(I)c(Cl)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H9ClFIN2O/c16-11-7-9(3-6-12(11)18)14-13(15(19)20-21-14)8-1-4-10(17)5-2-8/h1-7H,(H2,19,20)
InChIKeyPCQTVPZZKBAJNX-UHFFFAOYSA-N
MW414.61 g/mol
LogP4.99
Rot. Bonds2

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

5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 103222593) has the molecular formula C15H9ClFIN2O and a molecular weight of 414.61 g/mol. Its IUPAC name is 5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID103222593
Molecular FormulaC15H9ClFIN2O
Molecular Weight414.61 g/mol
Exact Mass413.94
IUPAC Name5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(I)c(Cl)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H9ClFIN2O/c16-11-7-9(3-6-12(11)18)14-13(15(19)20-21-14)8-1-4-10(17)5-2-8/h1-7H,(H2,19,20)
InChIKeyPCQTVPZZKBAJNX-UHFFFAOYSA-N
XLogP4.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.61
LogP ≤ 54.99
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-(3-chloro-4-iodophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 103222608
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 106690632
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786779
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122
4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine
CID 66198144
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66201692
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 82878281

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine (CID 103222593) is 5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(I)c(Cl)c2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is PCQTVPZZKBAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFIN2O/c16-11-7-9(3-6-12(11)18)14-13(15(19)20-21-14)8-1-4-10(17)5-2-8/h1-7H,(H2,19,20).
What are the key properties of 5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 414.61 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-iodophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 103222593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).