(4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium

C17H17NO2 — CID 124802079

IUPAC(4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium
SMILESCC1(C)O[N+]([O-])=C(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-17(2)15(13-9-5-3-6-10-13)16(18(19)20-17)14-11-7-4-8-12-14/h3-12,15H,1-2H3/t15-/m1/s1
InChIKeyLJLOIYSQJVMXDN-OAHLLOKOSA-N
MW267.33 g/mol
LogP3.49
Rot. Bonds2

About (4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium

(4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium (PubChem CID 124802079) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium
PubChem CID124802079
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium
SMILESCC1(C)O[N+]([O-])=C(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-17(2)15(13-9-5-3-6-10-13)16(18(19)20-17)14-11-7-4-8-12-14/h3-12,15H,1-2H3/t15-/m1/s1
InChIKeyLJLOIYSQJVMXDN-OAHLLOKOSA-N
XLogP3.49
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 42604746
(2R,4S)-2-ethyl-3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-4H-imidazol-1-ium
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Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium?
The IUPAC name of (4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium (CID 124802079) is (4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium.
What is the SMILES notation for (4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium?
The canonical SMILES for (4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium is CC1(C)O[N+]([O-])=C(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium?
The InChIKey is LJLOIYSQJVMXDN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(2)15(13-9-5-3-6-10-13)16(18(19)20-17)14-11-7-4-8-12-14/h3-12,15H,1-2H3/t15-/m1/s1.
What are the key properties of (4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium?
(4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium has a molecular weight of 267.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-2-oxido-3,4-diphenyl-4H-1,2-oxazol-2-ium is sourced from PubChem (CID 124802079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).