tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C24H35NO6 — CID 177063912

IUPACtert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1(c2ccc([C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)cc2)CCOCC1
InChIInChI=1S/C24H35NO6/c1-7-29-20(26)24(12-14-28-15-13-24)18-10-8-17(9-11-18)19-16-30-23(5,6)25(19)21(27)31-22(2,3)4/h8-11,19H,7,12-16H2,1-6H3/t19-/m1/s1
InChIKeyYVXUQHCAECFVCD-LJQANCHMSA-N
MW433.55 g/mol
LogP4.34
Rot. Bonds4

About tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 177063912) has the molecular formula C24H35NO6 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID177063912
Molecular FormulaC24H35NO6
Molecular Weight433.55 g/mol
Exact Mass433.25
IUPAC Nametert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1(c2ccc([C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)cc2)CCOCC1
InChIInChI=1S/C24H35NO6/c1-7-29-20(26)24(12-14-28-15-13-24)18-10-8-17(9-11-18)19-16-30-23(5,6)25(19)21(27)31-22(2,3)4/h8-11,19H,7,12-16H2,1-6H3/t19-/m1/s1
InChIKeyYVXUQHCAECFVCD-LJQANCHMSA-N
XLogP4.34
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate 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

Ethyl (4-methylphenyl)(piperidin-1-yl)acetate
CID 202136
(4S)-4-phenyl-3-[(3R)-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 10267335
tert-butyl (3R,4S)-4,5-dimethyl-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]hexanoate
CID 11257762
tert-butyl (1R,2R,3S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-pentylcyclopropane-1-carboxylate
CID 139038611
Methyl 1-[5-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]pentyl]-4-phenylpiperidine-4-carboxylate
CID 54169201
tert-butyl (2R,5S)-2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-5-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 141700743
1-O-tert-butyl 2-O-ethyl 2-(3-fluorophenyl)pyrrolidine-1,2-dicarboxylate
CID 158915202
tert-butyl 2-[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 176143528
Tert-butyl 2-[2-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]piperidine-1-carboxylate
CID 176143558
Tert-butyl 2-[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]piperidine-1-carboxylate
CID 176143668
tert-butyl 2-[2-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 176143705
tert-butyl (4S)-4-[4-(1-ethoxy-5,5,5-trifluoro-1-oxopentan-2-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 177063871

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 177063912) is tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCOC(=O)C1(c2ccc([C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)cc2)CCOCC1.
What is the InChIKey of tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YVXUQHCAECFVCD-LJQANCHMSA-N. The full InChI is InChI=1S/C24H35NO6/c1-7-29-20(26)24(12-14-28-15-13-24)18-10-8-17(9-11-18)19-16-30-23(5,6)25(19)21(27)31-22(2,3)4/h8-11,19H,7,12-16H2,1-6H3/t19-/m1/s1.
What are the key properties of tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 433.55 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[4-(4-ethoxycarbonyloxan-4-yl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 177063912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).