(2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine

C27H23NO — CID 7312555

IUPAC(2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine
SMILESc1ccc([C@H]2O[C@@H](c3ccccc3)N(c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C27H23NO/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29-27(23-17-9-3-10-18-23)28(25)24-19-11-4-12-20-24/h1-20,25-27H/t25-,26+,27-/m0/s1
InChIKeyBZQJXORAIOYPSZ-VJGNERBWSA-N
MW377.49 g/mol
LogP6.70
Rot. Bonds4

About (2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine

(2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine (PubChem CID 7312555) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is (2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine
PubChem CID7312555
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name(2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine
SMILESc1ccc([C@H]2O[C@@H](c3ccccc3)N(c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C27H23NO/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29-27(23-17-9-3-10-18-23)28(25)24-19-11-4-12-20-24/h1-20,25-27H/t25-,26+,27-/m0/s1
InChIKeyBZQJXORAIOYPSZ-VJGNERBWSA-N
XLogP6.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine?
The IUPAC name of (2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine (CID 7312555) is (2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine?
The canonical SMILES for (2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine is c1ccc([C@H]2O[C@@H](c3ccccc3)N(c3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine?
The InChIKey is BZQJXORAIOYPSZ-VJGNERBWSA-N. The full InChI is InChI=1S/C27H23NO/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29-27(23-17-9-3-10-18-23)28(25)24-19-11-4-12-20-24/h1-20,25-27H/t25-,26+,27-/m0/s1.
What are the key properties of (2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine?
(2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine has a molecular weight of 377.49 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-2,3,4,5-tetraphenyl-1,3-oxazolidine is sourced from PubChem (CID 7312555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).