(4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H23NO2 — CID 135050413

IUPAC(4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@H](c1cccc2ccccc12)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C19H23NO2/c1-4-17(20-18(13(2)3)12-22-19(20)21)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-18H,4,12H2,1-3H3/t17-,18-/m1/s1
InChIKeyQMRFLXYBEIFKOU-QZTJIDSGSA-N
MW297.40 g/mol
LogP4.77
Rot. Bonds4

About (4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135050413) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135050413
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@H](c1cccc2ccccc12)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C19H23NO2/c1-4-17(20-18(13(2)3)12-22-19(20)21)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-18H,4,12H2,1-3H3/t17-,18-/m1/s1
InChIKeyQMRFLXYBEIFKOU-QZTJIDSGSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135050413) is (4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@H](c1cccc2ccccc12)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QMRFLXYBEIFKOU-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-17(20-18(13(2)3)12-22-19(20)21)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-18H,4,12H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135050413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).