(2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione

C29H30N2O4 — CID 57094508

IUPAC(2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione
SMILESO=C(C[C@@H](Cc1cccc2ccccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C29H30N2O4/c32-27(30-15-6-7-16-30)19-24(18-23-13-8-12-22-11-4-5-14-26(22)23)28(33)31-25(20-35-29(31)34)17-21-9-2-1-3-10-21/h1-5,8-14,24-25H,6-7,15-20H2/t24-,25+/m1/s1
InChIKeyVFOIXBOAMKJPEU-RPBOFIJWSA-N
MW470.57 g/mol
LogP4.60
Rot. Bonds7

About (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione

(2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione (PubChem CID 57094508) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione.

Molecular Properties

Compound Name(2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione
PubChem CID57094508
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Name(2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione
SMILESO=C(C[C@@H](Cc1cccc2ccccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C29H30N2O4/c32-27(30-15-6-7-16-30)19-24(18-23-13-8-12-22-11-4-5-14-26(22)23)28(33)31-25(20-35-29(31)34)17-21-9-2-1-3-10-21/h1-5,8-14,24-25H,6-7,15-20H2/t24-,25+/m1/s1
InChIKeyVFOIXBOAMKJPEU-RPBOFIJWSA-N
XLogP4.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione?
The IUPAC name of (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione (CID 57094508) is (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione.
What is the SMILES notation for (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione?
The canonical SMILES for (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione is O=C(C[C@@H](Cc1cccc2ccccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)N1CCCC1.
What is the InChIKey of (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione?
The InChIKey is VFOIXBOAMKJPEU-RPBOFIJWSA-N. The full InChI is InChI=1S/C29H30N2O4/c32-27(30-15-6-7-16-30)19-24(18-23-13-8-12-22-11-4-5-14-26(22)23)28(33)31-25(20-35-29(31)34)17-21-9-2-1-3-10-21/h1-5,8-14,24-25H,6-7,15-20H2/t24-,25+/m1/s1.
What are the key properties of (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione?
(2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione has a molecular weight of 470.57 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(naphthalen-1-ylmethyl)-4-pyrrolidin-1-ylbutane-1,4-dione is sourced from PubChem (CID 57094508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).