(4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one

C24H28N2O3 — CID 101127819

IUPAC(4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C2=NO[C@H](N3C(=O)OC(C)(C)[C@@H]3Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C24H28N2O3/c1-15-11-16(2)22(17(3)12-15)19-14-21(29-25-19)26-20(24(4,5)28-23(26)27)13-18-9-7-6-8-10-18/h6-12,20-21H,13-14H2,1-5H3/t20-,21-/m0/s1
InChIKeyIPOUJAKIBPYODU-SFTDATJTSA-N
MW392.50 g/mol
LogP4.90
Rot. Bonds4

About (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one (PubChem CID 101127819) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one
PubChem CID101127819
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C2=NO[C@H](N3C(=O)OC(C)(C)[C@@H]3Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C24H28N2O3/c1-15-11-16(2)22(17(3)12-15)19-14-21(29-25-19)26-20(24(4,5)28-23(26)27)13-18-9-7-6-8-10-18/h6-12,20-21H,13-14H2,1-5H3/t20-,21-/m0/s1
InChIKeyIPOUJAKIBPYODU-SFTDATJTSA-N
XLogP4.90
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-benzyl-3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 101033148
(4S)-4-benzyl-3-[(5S)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 101127817
(4S)-4-benzyl-3-[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 101131769
(4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10112865
(4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10159118
3-[3-(2,4,6-Trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10308436
(4R)-4-benzyl-3-[(2R)-2-(2-ethylphenyl)propyl]-1,3-oxazolidin-2-one
CID 21968102
(4R)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 42603110
(4R)-3-(2-methoxyethyl)-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 42603111
(4S)-3-methyl-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 42603112
(4S)-3-(2-methoxyethyl)-4-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 42603114
Tert-butyl 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4-phenylpyrrolidine-1-carboxylate
CID 67175921

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one (CID 101127819) is (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one is Cc1cc(C)c(C2=NO[C@H](N3C(=O)OC(C)(C)[C@@H]3Cc3ccccc3)C2)c(C)c1.
What is the InChIKey of (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is IPOUJAKIBPYODU-SFTDATJTSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-15-11-16(2)22(17(3)12-15)19-14-21(29-25-19)26-20(24(4,5)28-23(26)27)13-18-9-7-6-8-10-18/h6-12,20-21H,13-14H2,1-5H3/t20-,21-/m0/s1.
What are the key properties of (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101127819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).