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

C18H21NO2 — CID 134905744

IUPAC(4S)-3-[(1S)-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+/m0/s1
InChIKeyGWMOFXDQXGJQFB-SUMWQHHRSA-N
MW283.37 g/mol
LogP4.38
Rot. Bonds3

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

(4S)-3-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134905744) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4S)-3-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134905744
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(4S)-3-[(1S)-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+/m0/s1
InChIKeyGWMOFXDQXGJQFB-SUMWQHHRSA-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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134905744) is (4S)-3-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1S)-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-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is GWMOFXDQXGJQFB-SUMWQHHRSA-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+/m0/s1.
What are the key properties of (4S)-3-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1S)-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-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134905744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).