tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate

C22H25NO5 — CID 175668395

IUPACtert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)C1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H25NO5/c1-22(2,3)28-21(25)23-15-27-20(24)19(23)13-16-9-11-18(12-10-16)26-14-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3
InChIKeyKKNCOGMEMJVJOU-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.93
Rot. Bonds5

About tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate

tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 175668395) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID175668395
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Nametert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)C1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H25NO5/c1-22(2,3)28-21(25)23-15-27-20(24)19(23)13-16-9-11-18(12-10-16)26-14-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3
InChIKeyKKNCOGMEMJVJOU-UHFFFAOYSA-N
XLogP3.93
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-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

tert-butyl (4S)-5-oxo-4-[3-oxo-3-(4-phenylmethoxybenzoyl)oxypropyl]-1,3-oxazolidine-3-carboxylate
CID 167097686
tert-butyl (4S)-4-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-3-oxopropyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 155709971
tert-butyl (2S)-3-[(4-acetyloxyphenyl)methoxy]-2-benzyl-5-oxo-2H-pyrrole-1-carboxylate
CID 137492075
4-O-benzyl 3-O-tert-butyl (4S)-6-oxo-1,3-oxazinane-3,4-dicarboxylate
CID 10568792
tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
1-O-tert-butyl 4-O-ethyl (2S)-3-hydroxy-5-oxo-2-[(4-phenylmethoxyphenyl)methyl]-2H-pyrrole-1,4-dicarboxylate
CID 54735971
benzyl (4S)-4-(bromomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67707384
tert-butyl (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 169114013
tert-butyl (1S,4S)-5-(4-phenylmethoxyphenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 166525680
tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 142751695
benzyl 4-[[6-(2-methylphenyl)-3-pyridinyl]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 143176879
1,2-dichloroethane;ethane;3-[3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 91030917

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate (CID 175668395) is tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1COC(=O)C1Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is KKNCOGMEMJVJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-22(2,3)28-21(25)23-15-27-20(24)19(23)13-16-9-11-18(12-10-16)26-14-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3.
What are the key properties of tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 383.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 175668395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).