(5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole

C16H13ClFNO — CID 135065766

IUPAC(5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole
SMILESFc1ccc(C2=NC[C@@](CCl)(c3ccccc3)O2)cc1
InChIInChI=1S/C16H13ClFNO/c17-10-16(13-4-2-1-3-5-13)11-19-15(20-16)12-6-8-14(18)9-7-12/h1-9H,10-11H2/t16-/m0/s1
InChIKeyQNKPXENFQLTCSE-INIZCTEOSA-N
MW289.74 g/mol
LogP3.74
Rot. Bonds3

About (5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole

(5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole (PubChem CID 135065766) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole
PubChem CID135065766
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole
SMILESFc1ccc(C2=NC[C@@](CCl)(c3ccccc3)O2)cc1
InChIInChI=1S/C16H13ClFNO/c17-10-16(13-4-2-1-3-5-13)11-19-15(20-16)12-6-8-14(18)9-7-12/h1-9H,10-11H2/t16-/m0/s1
InChIKeyQNKPXENFQLTCSE-INIZCTEOSA-N
XLogP3.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole?
The IUPAC name of (5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole (CID 135065766) is (5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole?
The canonical SMILES for (5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole is Fc1ccc(C2=NC[C@@](CCl)(c3ccccc3)O2)cc1.
What is the InChIKey of (5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole?
The InChIKey is QNKPXENFQLTCSE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-10-16(13-4-2-1-3-5-13)11-19-15(20-16)12-6-8-14(18)9-7-12/h1-9H,10-11H2/t16-/m0/s1.
What are the key properties of (5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole?
(5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole has a molecular weight of 289.74 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 135065766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).