(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one

C24H23NO4 — CID 15526516

IUPAC(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C24H23NO4/c1-16(22(26)21-13-7-11-18-10-5-6-12-20(18)21)23(27)25-19(15-29-24(25)28)14-17-8-3-2-4-9-17/h2-13,16,19,22,26H,14-15H2,1H3/t16-,19+,22+/m1/s1
InChIKeyHTPAARGINCGUKC-WVBUVRCRSA-N
MW389.45 g/mol
LogP4.10
Rot. Bonds5

About (4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 15526516) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID15526516
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C24H23NO4/c1-16(22(26)21-13-7-11-18-10-5-6-12-20(18)21)23(27)25-19(15-29-24(25)28)14-17-8-3-2-4-9-17/h2-13,16,19,22,26H,14-15H2,1H3/t16-,19+,22+/m1/s1
InChIKeyHTPAARGINCGUKC-WVBUVRCRSA-N
XLogP4.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one (CID 15526516) is (4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](O)c1cccc2ccccc12.
What is the InChIKey of (4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HTPAARGINCGUKC-WVBUVRCRSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16(22(26)21-13-7-11-18-10-5-6-12-20(18)21)23(27)25-19(15-29-24(25)28)14-17-8-3-2-4-9-17/h2-13,16,19,22,26H,14-15H2,1H3/t16-,19+,22+/m1/s1.
What are the key properties of (4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 389.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15526516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).