tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

C15H25N3O4 — CID 118318179

IUPACtert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCc1nnc(C2(C)COC(C)(C)N2C(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H25N3O4/c1-8-10-16-17-11(21-10)15(7)9-20-14(5,6)18(15)12(19)22-13(2,3)4/h8-9H2,1-7H3
InChIKeyJAYVTPYHXFPIIR-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.85
Rot. Bonds2

About tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 118318179) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID118318179
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCc1nnc(C2(C)COC(C)(C)N2C(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H25N3O4/c1-8-10-16-17-11(21-10)15(7)9-20-14(5,6)18(15)12(19)22-13(2,3)4/h8-9H2,1-7H3
InChIKeyJAYVTPYHXFPIIR-UHFFFAOYSA-N
XLogP2.85
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(E)-N'-hydroxycarbamimidoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 118308717
tert-butyl 4-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 69189160
tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 157152097
tert-butyl (4R)-2,2,4-trimethyl-4-[5-[4-octoxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-1,3-oxazolidine-3-carboxylate
CID 59384428
tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate
CID 174065801
tert-butyl (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 171934913
tert-butyl 4-[5-[4-(4-hydroxybutoxy)-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 70928403
tert-butyl (2S,6R)-1,7-dimethyl-3,5-dioxo-4-oxa-10-azatricyclo[5.2.1.02,6]decane-10-carboxylate
CID 58745849
tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate
CID 88980904
tert-butyl (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120
tert-butyl (4R)-2,2,4-trimethyl-4-[5-[4-(5-phenylpentoxy)-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-1,3-oxazolidine-3-carboxylate
CID 59384398

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (CID 118318179) is tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is CCc1nnc(C2(C)COC(C)(C)N2C(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JAYVTPYHXFPIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-8-10-16-17-11(21-10)15(7)9-20-14(5,6)18(15)12(19)22-13(2,3)4/h8-9H2,1-7H3.
What are the key properties of tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 118318179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).