(4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C17H19NO2 — CID 14383313

IUPAC(4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c1-12(2)16-11-20-17(19)18(16)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11H2,1-2H3/t16-/m1/s1
InChIKeyGHMKWPLZKCCMFA-MRXNPFEDSA-N
MW269.34 g/mol
LogP3.82
Rot. Bonds3

About (4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 14383313) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID14383313
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c1-12(2)16-11-20-17(19)18(16)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11H2,1-2H3/t16-/m1/s1
InChIKeyGHMKWPLZKCCMFA-MRXNPFEDSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134157470
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CID 44591812
CID 44591812
CID 44591813
CID 44591813
CID 44410268
CID 44410268
CID 39056
CID 39056
CID 10246470
CID 10246470
CID 72874332
CID 72874332
CID 162406456
CID 162406456
CID 301866
CID 301866

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 14383313) is (4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1Cc1cccc2ccccc12.
What is the InChIKey of (4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is GHMKWPLZKCCMFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(2)16-11-20-17(19)18(16)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 269.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14383313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).