(5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole

C17H20BrF3N2O — CID 155344260

IUPAC(5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole
SMILESC[C@]1(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC(Br)=NO1
InChIInChI=1S/C17H20BrF3N2O/c1-16(10-15(18)22-24-16)13-6-8-23(9-7-13)11-12-2-4-14(5-3-12)17(19,20)21/h2-5,13H,6-11H2,1H3/t16-/m1/s1
InChIKeyRSFSLGYFRKACTN-MRXNPFEDSA-N
MW405.26 g/mol
LogP4.80
Rot. Bonds3

About (5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole

(5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole (PubChem CID 155344260) has the molecular formula C17H20BrF3N2O and a molecular weight of 405.26 g/mol. Its IUPAC name is (5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole
PubChem CID155344260
Molecular FormulaC17H20BrF3N2O
Molecular Weight405.26 g/mol
Exact Mass404.07
IUPAC Name(5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole
SMILESC[C@]1(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC(Br)=NO1
InChIInChI=1S/C17H20BrF3N2O/c1-16(10-15(18)22-24-16)13-6-8-23(9-7-13)11-12-2-4-14(5-3-12)17(19,20)21/h2-5,13H,6-11H2,1H3/t16-/m1/s1
InChIKeyRSFSLGYFRKACTN-MRXNPFEDSA-N
XLogP4.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole?
The IUPAC name of (5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole (CID 155344260) is (5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole.
What is the SMILES notation for (5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole?
The canonical SMILES for (5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole is C[C@]1(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC(Br)=NO1.
What is the InChIKey of (5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole?
The InChIKey is RSFSLGYFRKACTN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20BrF3N2O/c1-16(10-15(18)22-24-16)13-6-8-23(9-7-13)11-12-2-4-14(5-3-12)17(19,20)21/h2-5,13H,6-11H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole?
(5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole has a molecular weight of 405.26 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-bromo-5-methyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2-oxazole is sourced from PubChem (CID 155344260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).