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

C18H17NO3 — CID 11066354

IUPAC(4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)Cc1ccccc1
InChIInChI=1S/C18H17NO3/c1-13-17(15-10-6-3-7-11-15)22-18(21)19(13)16(20)12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3/t13-,17-/m0/s1
InChIKeyFJKWWFGNYPFCTF-GUYCJALGSA-N
MW295.34 g/mol
LogP3.34
Rot. Bonds3

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

(4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one (PubChem CID 11066354) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
PubChem CID11066354
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)Cc1ccccc1
InChIInChI=1S/C18H17NO3/c1-13-17(15-10-6-3-7-11-15)22-18(21)19(13)16(20)12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3/t13-,17-/m0/s1
InChIKeyFJKWWFGNYPFCTF-GUYCJALGSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one (CID 11066354) is (4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)Cc1ccccc1.
What is the InChIKey of (4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one?
The InChIKey is FJKWWFGNYPFCTF-GUYCJALGSA-N. The full InChI is InChI=1S/C18H17NO3/c1-13-17(15-10-6-3-7-11-15)22-18(21)19(13)16(20)12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3/t13-,17-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one has a molecular weight of 295.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-phenyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11066354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).