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

C16H13BrFNO — CID 135035337

IUPAC(5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole
SMILESFc1ccc([C@]2(CBr)CN=C(c3ccccc3)O2)cc1
InChIInChI=1S/C16H13BrFNO/c17-10-16(13-6-8-14(18)9-7-13)11-19-15(20-16)12-4-2-1-3-5-12/h1-9H,10-11H2/t16-/m0/s1
InChIKeyATCWCRZUWQEBMG-INIZCTEOSA-N
MW334.19 g/mol
LogP3.89
Rot. Bonds3

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

(5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole (PubChem CID 135035337) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is (5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole
PubChem CID135035337
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name(5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole
SMILESFc1ccc([C@]2(CBr)CN=C(c3ccccc3)O2)cc1
InChIInChI=1S/C16H13BrFNO/c17-10-16(13-6-8-14(18)9-7-13)11-19-15(20-16)12-4-2-1-3-5-12/h1-9H,10-11H2/t16-/m0/s1
InChIKeyATCWCRZUWQEBMG-INIZCTEOSA-N
XLogP3.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(3S,4R)-2'-(4-bromophenyl)-3-fluorospiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 89665172
(5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 101796547
2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176
2,6-Diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine
CID 132602178
(5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole
CID 135035338
(5R)-5-(chloromethyl)-2-(4-fluorophenyl)-5-phenyl-4H-1,3-oxazole
CID 135065766
(5R)-5-[bromo(difluoro)methyl]-5-(4-methylphenyl)-2-phenyl-4H-1,3-oxazole
CID 155929132
2-(4-Fluorophenyl)-5-(p-tolyl)-4,5-dihydrooxazole
CID 164510912
(5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole
CID 166448999
6-Fluoro-6-[(4-fluorophenyl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazine
CID 177851491
2-(3-Fluorophenyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 178250487

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole?
The IUPAC name of (5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole (CID 135035337) is (5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole?
The canonical SMILES for (5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole is Fc1ccc([C@]2(CBr)CN=C(c3ccccc3)O2)cc1.
What is the InChIKey of (5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole?
The InChIKey is ATCWCRZUWQEBMG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-10-16(13-6-8-14(18)9-7-13)11-19-15(20-16)12-4-2-1-3-5-12/h1-9H,10-11H2/t16-/m0/s1.
What are the key properties of (5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole?
(5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole has a molecular weight of 334.19 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 135035337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).