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

C18H19NO3 — CID 44591747

IUPAC(5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2ccc(CN3C[C@@H](C)OC3=O)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-13-11-19(18(20)22-13)12-14-3-5-15(6-4-14)16-7-9-17(21-2)10-8-16/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyXCCQHVJQOQPMOX-CYBMUJFWSA-N
MW297.35 g/mol
LogP3.70
Rot. Bonds4

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

(5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 44591747) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID44591747
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2ccc(CN3C[C@@H](C)OC3=O)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-13-11-19(18(20)22-13)12-14-3-5-15(6-4-14)16-7-9-17(21-2)10-8-16/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyXCCQHVJQOQPMOX-CYBMUJFWSA-N
XLogP3.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.70
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-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 44591747) is (5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is COc1ccc(-c2ccc(CN3C[C@@H](C)OC3=O)cc2)cc1.
What is the InChIKey of (5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is XCCQHVJQOQPMOX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-11-19(18(20)22-13)12-14-3-5-15(6-4-14)16-7-9-17(21-2)10-8-16/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).