3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one

C18H24N2O4 — CID 101040640

IUPAC3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1ON(C(C)(C)C)[C@@H](c2ccccc2)[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C18H24N2O4/c1-12-14(16(21)19-10-11-23-17(19)22)15(13-8-6-5-7-9-13)20(24-12)18(2,3)4/h5-9,12,14-15H,10-11H2,1-4H3/t12-,14-,15-/m0/s1
InChIKeySNDLEBUYMBUGLJ-QEJZJMRPSA-N
MW332.40 g/mol
LogP2.76
Rot. Bonds2

About 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one

3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 101040640) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
PubChem CID101040640
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1ON(C(C)(C)C)[C@@H](c2ccccc2)[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C18H24N2O4/c1-12-14(16(21)19-10-11-23-17(19)22)15(13-8-6-5-7-9-13)20(24-12)18(2,3)4/h5-9,12,14-15H,10-11H2,1-4H3/t12-,14-,15-/m0/s1
InChIKeySNDLEBUYMBUGLJ-QEJZJMRPSA-N
XLogP2.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 51346284
3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 102037754
3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
CID 139985373
3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139985376
3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 101221348
3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene
CID 144509444
3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 78210230
N-(2-oxo-1,3-oxazolidin-3-yl)-N-phenylacetamide
CID 21293121
(Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid
CID 177477909
cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate
CID 59692324
(3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide
CID 10517014

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one (CID 101040640) is 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one is C[C@@H]1ON(C(C)(C)C)[C@@H](c2ccccc2)[C@H]1C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is SNDLEBUYMBUGLJ-QEJZJMRPSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-14(16(21)19-10-11-23-17(19)22)15(13-8-6-5-7-9-13)20(24-12)18(2,3)4/h5-9,12,14-15H,10-11H2,1-4H3/t12-,14-,15-/m0/s1.
What are the key properties of 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?
3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101040640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).