(4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine

C17H18BrNO — CID 67441270

IUPAC(4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
SMILESC[C@H]1[C@H](c2ccccc2)OC(c2ccc(Br)cc2)N1C
InChIInChI=1S/C17H18BrNO/c1-12-16(13-6-4-3-5-7-13)20-17(19(12)2)14-8-10-15(18)11-9-14/h3-12,16-17H,1-2H3/t12-,16+,17?/m0/s1
InChIKeyKCQAYVNRKMRWER-SQHWGMCGSA-N
MW332.24 g/mol
LogP4.54
Rot. Bonds2

About (4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine

(4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine (PubChem CID 67441270) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
PubChem CID67441270
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
SMILESC[C@H]1[C@H](c2ccccc2)OC(c2ccc(Br)cc2)N1C
InChIInChI=1S/C17H18BrNO/c1-12-16(13-6-4-3-5-7-13)20-17(19(12)2)14-8-10-15(18)11-9-14/h3-12,16-17H,1-2H3/t12-,16+,17?/m0/s1
InChIKeyKCQAYVNRKMRWER-SQHWGMCGSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of (4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine (CID 67441270) is (4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for (4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for (4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine is C[C@H]1[C@H](c2ccccc2)OC(c2ccc(Br)cc2)N1C.
What is the InChIKey of (4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
The InChIKey is KCQAYVNRKMRWER-SQHWGMCGSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-16(13-6-4-3-5-7-13)20-17(19(12)2)14-8-10-15(18)11-9-14/h3-12,16-17H,1-2H3/t12-,16+,17?/m0/s1.
What are the key properties of (4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine?
(4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine has a molecular weight of 332.24 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-(4-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 67441270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).