(5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole

C17H13BrF3NO — CID 135035338

IUPAC(5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole
SMILESFC(F)(F)c1cccc([C@]2(CBr)CN=C(c3ccccc3)O2)c1
InChIInChI=1S/C17H13BrF3NO/c18-10-16(13-7-4-8-14(9-13)17(19,20)21)11-22-15(23-16)12-5-2-1-3-6-12/h1-9H,10-11H2/t16-/m0/s1
InChIKeyHJOXNFDJSMLALY-INIZCTEOSA-N
MW384.20 g/mol
LogP4.77
Rot. Bonds3

About (5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole

(5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole (PubChem CID 135035338) has the molecular formula C17H13BrF3NO and a molecular weight of 384.20 g/mol. Its IUPAC name is (5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole.

Molecular Properties

Compound Name(5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole
PubChem CID135035338
Molecular FormulaC17H13BrF3NO
Molecular Weight384.20 g/mol
Exact Mass383.01
IUPAC Name(5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole
SMILESFC(F)(F)c1cccc([C@]2(CBr)CN=C(c3ccccc3)O2)c1
InChIInChI=1S/C17H13BrF3NO/c18-10-16(13-7-4-8-14(9-13)17(19,20)21)11-22-15(23-16)12-5-2-1-3-6-12/h1-9H,10-11H2/t16-/m0/s1
InChIKeyHJOXNFDJSMLALY-INIZCTEOSA-N
XLogP4.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 54.77
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

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)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole
CID 135035337
2-Phenyl-4-(3-(trifluoromethyl)phenyl)-4,5-dihydrooxazole
CID 146025901
(5R)-5-[bromo(difluoro)methyl]-5-(4-methylphenyl)-2-phenyl-4H-1,3-oxazole
CID 155929132
(5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole
CID 166448999
(5R)-5-bromo-6,6-difluoro-5-(4-methylphenyl)-2-phenyl-4H-1,3-oxazine
CID 178251075
5-benzyl-5-fluoro-2-phenyl-4H-1,3-oxazole
CID 178252048
5-benzyl-2-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-4H-1,3-oxazole
CID 178252049
5-(bromomethyl)-5-phenyl-2-[4-(trifluoromethyl)phenyl]-4H-1,3-oxazole
CID 178252085
5-Methyl-2,5-diphenyl-2-oxazoline
CID 13191724
2,5,5-triphenyl-4H-1,3-oxazole
CID 13191726

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole?
The IUPAC name of (5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole (CID 135035338) is (5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole.
What is the SMILES notation for (5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole?
The canonical SMILES for (5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole is FC(F)(F)c1cccc([C@]2(CBr)CN=C(c3ccccc3)O2)c1.
What is the InChIKey of (5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole?
The InChIKey is HJOXNFDJSMLALY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H13BrF3NO/c18-10-16(13-7-4-8-14(9-13)17(19,20)21)11-22-15(23-16)12-5-2-1-3-6-12/h1-9H,10-11H2/t16-/m0/s1.
What are the key properties of (5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole?
(5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole has a molecular weight of 384.20 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole is sourced from PubChem (CID 135035338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).