(5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one

C18H21NO3 — CID 2793776

IUPAC(5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1C[C@H](COc2cccc3ccccc23)OC1=O
InChIInChI=1S/C18H21NO3/c1-18(2,3)19-11-14(22-17(19)20)12-21-16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14H,11-12H2,1-3H3/t14-/m1/s1
InChIKeyZJPPMBIQTYFZMH-CQSZACIVSA-N
MW299.37 g/mol
LogP3.84
Rot. Bonds3

About (5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one

(5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 2793776) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID2793776
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1C[C@H](COc2cccc3ccccc23)OC1=O
InChIInChI=1S/C18H21NO3/c1-18(2,3)19-11-14(22-17(19)20)12-21-16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14H,11-12H2,1-3H3/t14-/m1/s1
InChIKeyZJPPMBIQTYFZMH-CQSZACIVSA-N
XLogP3.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one (CID 2793776) is (5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one is CC(C)(C)N1C[C@H](COc2cccc3ccccc23)OC1=O.
What is the InChIKey of (5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is ZJPPMBIQTYFZMH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,3)19-11-14(22-17(19)20)12-21-16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14H,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 299.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 2793776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).