(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine

C28H25NO — CID 10548499

IUPAC(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine
SMILESc1ccc(C(c2ccccc2)N2[C@@H](c3ccccc3)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C28H25NO/c1-5-13-22(14-6-1)26-21-30-28(25-19-11-4-12-20-25)29(26)27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-28H,21H2/t26-,28+/m0/s1
InChIKeyRVEJJTXDPDDDQM-XTEPFMGCSA-N
MW391.51 g/mol
LogP6.55
Rot. Bonds5

About (2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine

(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine (PubChem CID 10548499) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is (2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine
PubChem CID10548499
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine
SMILESc1ccc(C(c2ccccc2)N2[C@@H](c3ccccc3)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C28H25NO/c1-5-13-22(14-6-1)26-21-30-28(25-19-11-4-12-20-25)29(26)27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-28H,21H2/t26-,28+/m0/s1
InChIKeyRVEJJTXDPDDDQM-XTEPFMGCSA-N
XLogP6.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine?
The IUPAC name of (2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine (CID 10548499) is (2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine.
What is the SMILES notation for (2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine?
The canonical SMILES for (2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine is c1ccc(C(c2ccccc2)N2[C@@H](c3ccccc3)OC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine?
The InChIKey is RVEJJTXDPDDDQM-XTEPFMGCSA-N. The full InChI is InChI=1S/C28H25NO/c1-5-13-22(14-6-1)26-21-30-28(25-19-11-4-12-20-25)29(26)27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-28H,21H2/t26-,28+/m0/s1.
What are the key properties of (2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine?
(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine has a molecular weight of 391.51 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine is sourced from PubChem (CID 10548499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).