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

C18H21NO2 — CID 14383325

IUPAC(4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C18H21NO2/c1-12(2)17-11-21-18(20)19(17)13(3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,12-13,17H,11H2,1-3H3/t13-,17-/m1/s1
InChIKeyGWMOFXDQXGJQFB-CXAGYDPISA-N
MW283.37 g/mol
LogP4.38
Rot. Bonds3

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

(4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 14383325) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID14383325
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C18H21NO2/c1-12(2)17-11-21-18(20)19(17)13(3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,12-13,17H,11H2,1-3H3/t13-,17-/m1/s1
InChIKeyGWMOFXDQXGJQFB-CXAGYDPISA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243
methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 12010031
3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
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1-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 162354731
4-[(1R)-1-naphthalen-1-ylethyl]morpholine-3-carboxamide
CID 140628038
5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one
CID 10132757
1-(1-naphthalen-1-ylethyl)azetidin-3-ol
CID 23381710
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-naphthalen-1-ylethyl)imidazolidine-2,4-dione
CID 166228486
3-[(1R)-1-naphthalen-1-ylethyl]-1,4-dihydrofuro[3,4-d]imidazole-2,6-dione
CID 10957355
4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168658813
1-(1-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669260
5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one
CID 15987293

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 14383325) is (4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1[C@H](C)c1cccc2ccccc12.
What is the InChIKey of (4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is GWMOFXDQXGJQFB-CXAGYDPISA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(2)17-11-21-18(20)19(17)13(3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,12-13,17H,11H2,1-3H3/t13-,17-/m1/s1.
What are the key properties of (4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 283.37 g/mol, XLogP of 4.38, 3 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-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14383325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).