(4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one

C25H24N2O4 — CID 69349511

IUPAC(4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC1NC(=O)OC1c1ccccc1.O=C1N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C15H13NO2.C10H11NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h1-10,13-14H,(H,16,17);2-7,9H,1H3,(H,11,12)/t13-,14+;/m0./s1
InChIKeyDGEIAYOJHMOMPC-LMRHVHIWSA-N
MW416.48 g/mol
LogP5.06
Rot. Bonds3

About (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 69349511) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID69349511
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name(4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC1NC(=O)OC1c1ccccc1.O=C1N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C15H13NO2.C10H11NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h1-10,13-14H,(H,16,17);2-7,9H,1H3,(H,11,12)/t13-,14+;/m0./s1
InChIKeyDGEIAYOJHMOMPC-LMRHVHIWSA-N
XLogP5.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 69349511) is (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one is CC1NC(=O)OC1c1ccccc1.O=C1N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DGEIAYOJHMOMPC-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H13NO2.C10H11NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h1-10,13-14H,(H,16,17);2-7,9H,1H3,(H,11,12)/t13-,14+;/m0./s1.
What are the key properties of (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 416.48 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69349511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).