4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one

C34H40N4O8 — CID 160514416

IUPAC4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
SMILESCC1(C)C(=O)NCC1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.CC1(C)C(=O)NC[C@@H]1C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/2C17H20N2O4/c2*1-17(2)13(9-18-15(17)21)14(20)19-12(10-23-16(19)22)8-11-6-4-3-5-7-11/h2*3-7,12-13H,8-10H2,1-2H3,(H,18,21)/t12?,13-;12-,13?/m11/s1
InChIKeyQTLOYEHDGNLLNQ-HYHCPQFBSA-N
MW632.71 g/mol
LogP2.70
Rot. Bonds6

About 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one

4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 160514416) has the molecular formula C34H40N4O8 and a molecular weight of 632.71 g/mol. Its IUPAC name is 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
PubChem CID160514416
Molecular FormulaC34H40N4O8
Molecular Weight632.71 g/mol
Exact Mass632.28
IUPAC Name4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
SMILESCC1(C)C(=O)NCC1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.CC1(C)C(=O)NC[C@@H]1C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/2C17H20N2O4/c2*1-17(2)13(9-18-15(17)21)14(20)19-12(10-23-16(19)22)8-11-6-4-3-5-7-11/h2*3-7,12-13H,8-10H2,1-2H3,(H,18,21)/t12?,13-;12-,13?/m11/s1
InChIKeyQTLOYEHDGNLLNQ-HYHCPQFBSA-N
XLogP2.70
TPSA151.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.71
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
4-benzyl-3-[(3R)-7-oxoazepane-3-carbonyl]-1,3-oxazolidin-2-one
CID 89475510
(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one
CID 156622324
(4R)-4-benzyl-3-[(3S,4R)-3-methyloxane-4-carbonyl]-1,3-oxazolidin-2-one
CID 68847598
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10421971
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 118160677
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 159175739
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
CID 6383358

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one (CID 160514416) is 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one is CC1(C)C(=O)NCC1C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.CC1(C)C(=O)NC[C@@H]1C(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is QTLOYEHDGNLLNQ-HYHCPQFBSA-N. The full InChI is InChI=1S/2C17H20N2O4/c2*1-17(2)13(9-18-15(17)21)14(20)19-12(10-23-16(19)22)8-11-6-4-3-5-7-11/h2*3-7,12-13H,8-10H2,1-2H3,(H,18,21)/t12?,13-;12-,13?/m11/s1.
What are the key properties of 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one?
4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 632.71 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(3R)-4,4-dimethyl-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-(4,4-dimethyl-5-oxopyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 160514416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).