(5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole

C18H15FINO — CID 134953737

IUPAC(5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole
SMILESFc1ccc([C@]2(/C=C/CI)CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C18H15FINO/c19-16-9-7-15(8-10-16)18(11-4-12-20)13-17(21-22-18)14-5-2-1-3-6-14/h1-11H,12-13H2/b11-4+/t18-/m0/s1
InChIKeyWXWDNAASGYHSRC-BIPIYRQYSA-N
MW407.23 g/mol
LogP4.84
Rot. Bonds4

About (5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole

(5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole (PubChem CID 134953737) has the molecular formula C18H15FINO and a molecular weight of 407.23 g/mol. Its IUPAC name is (5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole
PubChem CID134953737
Molecular FormulaC18H15FINO
Molecular Weight407.23 g/mol
Exact Mass407.02
IUPAC Name(5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole
SMILESFc1ccc([C@]2(/C=C/CI)CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C18H15FINO/c19-16-9-7-15(8-10-16)18(11-4-12-20)13-17(21-22-18)14-5-2-1-3-6-14/h1-11H,12-13H2/b11-4+/t18-/m0/s1
InChIKeyWXWDNAASGYHSRC-BIPIYRQYSA-N
XLogP4.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole?
The IUPAC name of (5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole (CID 134953737) is (5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole.
What is the SMILES notation for (5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole?
The canonical SMILES for (5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole is Fc1ccc([C@]2(/C=C/CI)CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of (5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole?
The InChIKey is WXWDNAASGYHSRC-BIPIYRQYSA-N. The full InChI is InChI=1S/C18H15FINO/c19-16-9-7-15(8-10-16)18(11-4-12-20)13-17(21-22-18)14-5-2-1-3-6-14/h1-11H,12-13H2/b11-4+/t18-/m0/s1.
What are the key properties of (5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole?
(5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole has a molecular weight of 407.23 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-fluorophenyl)-5-[(E)-3-iodoprop-1-enyl]-3-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 134953737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).