(5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C19H21NO3 — CID 44591770

IUPAC(5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCCOc1ccc(-c2ccc(CN3C[C@@H](C)OC3=O)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-3-22-18-10-8-17(9-11-18)16-6-4-15(5-7-16)13-20-12-14(2)23-19(20)21/h4-11,14H,3,12-13H2,1-2H3/t14-/m1/s1
InChIKeyGXENFXDWIWSPCB-CQSZACIVSA-N
MW311.38 g/mol
LogP4.09
Rot. Bonds5

About (5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 44591770) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID44591770
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCCOc1ccc(-c2ccc(CN3C[C@@H](C)OC3=O)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-3-22-18-10-8-17(9-11-18)16-6-4-15(5-7-16)13-20-12-14(2)23-19(20)21/h4-11,14H,3,12-13H2,1-2H3/t14-/m1/s1
InChIKeyGXENFXDWIWSPCB-CQSZACIVSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 44591770) is (5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is CCOc1ccc(-c2ccc(CN3C[C@@H](C)OC3=O)cc2)cc1.
What is the InChIKey of (5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is GXENFXDWIWSPCB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-22-18-10-8-17(9-11-18)16-6-4-15(5-7-16)13-20-12-14(2)23-19(20)21/h4-11,14H,3,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(4-ethoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).