tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate

C25H38N2O10 — CID 158150914

IUPACtert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESC=CCC(CC(=O)OC(C)(C)C)C(=O)N1CCOC1=O.CC(C)(C)OC(=O)CCC(=O)N1CCOC1=O
InChIInChI=1S/C14H21NO5.C11H17NO5/c1-5-6-10(9-11(16)20-14(2,3)4)12(17)15-7-8-19-13(15)18;1-11(2,3)17-9(14)5-4-8(13)12-6-7-16-10(12)15/h5,10H,1,6-9H2,2-4H3;4-7H2,1-3H3
InChIKeyFVCDRLGJDVAEEG-UHFFFAOYSA-N
MW526.58 g/mol
LogP2.98
Rot. Bonds8

About tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate

tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (PubChem CID 158150914) has the molecular formula C25H38N2O10 and a molecular weight of 526.58 g/mol. Its IUPAC name is tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
PubChem CID158150914
Molecular FormulaC25H38N2O10
Molecular Weight526.58 g/mol
Exact Mass526.25
IUPAC Nametert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESC=CCC(CC(=O)OC(C)(C)C)C(=O)N1CCOC1=O.CC(C)(C)OC(=O)CCC(=O)N1CCOC1=O
InChIInChI=1S/C14H21NO5.C11H17NO5/c1-5-6-10(9-11(16)20-14(2,3)4)12(17)15-7-8-19-13(15)18;1-11(2,3)17-9(14)5-4-8(13)12-6-7-16-10(12)15/h5,10H,1,6-9H2,2-4H3;4-7H2,1-3H3
InChIKeyFVCDRLGJDVAEEG-UHFFFAOYSA-N
XLogP2.98
TPSA145.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.58
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[(4S)-4-iodo-2-oxo-1,3-oxazolidine-3-carbonyl]hex-5-enoate
CID 70250198
tert-butyl (2R,3S)-2-(2-methylpropyl)-3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate
CID 11151950
tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]hex-5-enoate
CID 10981603
3-non-8-enoyl-1,3-oxazolidin-2-one
CID 89302555
3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143579
tert-butyl 3-[2-[(1S)-1-pent-4-enoyloxyethyl]pyrrolidine-1-carbonyl]hex-5-enoate
CID 118867054
tert-butyl (3S)-3-[(2S)-2-[[(2S)-2-methylpent-4-enoyl]oxymethyl]pyrrolidine-1-carbonyl]hex-5-enoate
CID 118867061
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-[(E)-hex-4-enoyl]-1,3-oxazolidin-2-one
CID 15502915
tert-butyl 2-[methyl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetate
CID 130470232
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143575

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The IUPAC name of tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate (CID 158150914) is tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate.
What is the SMILES notation for tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The canonical SMILES for tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is C=CCC(CC(=O)OC(C)(C)C)C(=O)N1CCOC1=O.CC(C)(C)OC(=O)CCC(=O)N1CCOC1=O.
What is the InChIKey of tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The InChIKey is FVCDRLGJDVAEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5.C11H17NO5/c1-5-6-10(9-11(16)20-14(2,3)4)12(17)15-7-8-19-13(15)18;1-11(2,3)17-9(14)5-4-8(13)12-6-7-16-10(12)15/h5,10H,1,6-9H2,2-4H3;4-7H2,1-3H3.
What are the key properties of tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate has a molecular weight of 526.58 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate is sourced from PubChem (CID 158150914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).