tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate

C22H31NO5 — CID 20802578

IUPACtert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate
SMILESCC(C)(C)OC(=O)CC(C(=O)N1C(=O)OCC1Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31NO5/c1-21(2,3)17(13-18(24)28-22(4,5)6)19(25)23-16(14-27-20(23)26)12-15-10-8-7-9-11-15/h7-11,16-17H,12-14H2,1-6H3
InChIKeyDVGAIHUNZOJYNS-UHFFFAOYSA-N
MW389.49 g/mol
LogP3.97
Rot. Bonds5

About tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate

tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate (PubChem CID 20802578) has the molecular formula C22H31NO5 and a molecular weight of 389.49 g/mol. Its IUPAC name is tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate.

Molecular Properties

Compound Nametert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate
PubChem CID20802578
Molecular FormulaC22H31NO5
Molecular Weight389.49 g/mol
Exact Mass389.22
IUPAC Nametert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate
SMILESCC(C)(C)OC(=O)CC(C(=O)N1C(=O)OCC1Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31NO5/c1-21(2,3)17(13-18(24)28-22(4,5)6)19(25)23-16(14-27-20(23)26)12-15-10-8-7-9-11-15/h7-11,16-17H,12-14H2,1-6H3
InChIKeyDVGAIHUNZOJYNS-UHFFFAOYSA-N
XLogP3.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)heptanoate
CID 54302293
tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]hex-5-enoate
CID 10981603
tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-7,7,7-trifluoroheptanoate
CID 126691126
tert-butyl (3S)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-[(4-phenylphenyl)methyl]butanoate
CID 59061299
tert-butyl (4S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-4-phenylhept-6-enoate
CID 66586464
tert-butyl 2-[4-[(2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-3-oxopropyl]phenyl]acetate
CID 156801488
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(3-methoxyphenyl)methyl]-4-oxobutanoate
CID 51355179
tert-butyl 3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-6-phenylmethoxyhexanoate;2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylmethoxypentanoic acid
CID 161389702
4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118482741
tert-butyl N-[(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutyl]carbamate
CID 15675051
methyl (2S,3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-2-methyl-4-oxobutanoate
CID 102002465

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate?
The IUPAC name of tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate (CID 20802578) is tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate.
What is the SMILES notation for tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate?
The canonical SMILES for tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate is CC(C)(C)OC(=O)CC(C(=O)N1C(=O)OCC1Cc1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate?
The InChIKey is DVGAIHUNZOJYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO5/c1-21(2,3)17(13-18(24)28-22(4,5)6)19(25)23-16(14-27-20(23)26)12-15-10-8-7-9-11-15/h7-11,16-17H,12-14H2,1-6H3.
What are the key properties of tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate?
tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate has a molecular weight of 389.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate is sourced from PubChem (CID 20802578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).