(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one

C18H25NO3 — CID 15172348

IUPAC(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
SMILESCC(C)C[C@@H]1C(=O)O[C@@H](C(C)(C)C)N1C(=O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-12(2)11-14-16(21)22-17(18(3,4)5)19(14)15(20)13-9-7-6-8-10-13/h6-10,12,14,17H,11H2,1-5H3/t14-,17+/m1/s1
InChIKeyJQJLSEZXAVCTMI-PBHICJAKSA-N
MW303.40 g/mol
LogP3.47
Rot. Bonds3

About (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one

(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one (PubChem CID 15172348) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
PubChem CID15172348
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
SMILESCC(C)C[C@@H]1C(=O)O[C@@H](C(C)(C)C)N1C(=O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-12(2)11-14-16(21)22-17(18(3,4)5)19(14)15(20)13-9-7-6-8-10-13/h6-10,12,14,17H,11H2,1-5H3/t14-,17+/m1/s1
InChIKeyJQJLSEZXAVCTMI-PBHICJAKSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-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

3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one
CID 569780
3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one
CID 85435435
1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one
CID 13491013
benzyl (2S,4S)-4-[(2S)-butan-2-yl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 172639718
(2R,4S)-3-benzoyl-2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
CID 7098741
(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
CID 91703996
1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
CID 571299
2-[3-benzyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 3699759
(3S,5R,6S)-4-methyl-3-(2-methylpropyl)-5-phenyl-6-propan-2-ylmorpholin-2-one
CID 10851005
benzyl (2S,4S)-2-tert-butyl-4-(oxan-4-ylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 155933508
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
(2R,4R)-3-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809618

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one?
The IUPAC name of (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one (CID 15172348) is (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one?
The canonical SMILES for (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one is CC(C)C[C@@H]1C(=O)O[C@@H](C(C)(C)C)N1C(=O)c1ccccc1.
What is the InChIKey of (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one?
The InChIKey is JQJLSEZXAVCTMI-PBHICJAKSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(2)11-14-16(21)22-17(18(3,4)5)19(14)15(20)13-9-7-6-8-10-13/h6-10,12,14,17H,11H2,1-5H3/t14-,17+/m1/s1.
What are the key properties of (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one?
(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one has a molecular weight of 303.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 15172348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).