[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C20H26N2O4 — CID 55367311

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26N2O4/c1-6-16-18(14(2)26-21-16)19(24)25-13-17(23)22(20(3,4)5)12-15-10-8-7-9-11-15/h7-11H,6,12-13H2,1-5H3
InChIKeyAYDSBPWWUABXLN-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.53
Rot. Bonds6

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 55367311) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID55367311
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26N2O4/c1-6-16-18(14(2)26-21-16)19(24)25-13-17(23)22(20(3,4)5)12-15-10-8-7-9-11-15/h7-11H,6,12-13H2,1-5H3
InChIKeyAYDSBPWWUABXLN-UHFFFAOYSA-N
XLogP3.53
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681447
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 46693554
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2418158
[2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660613
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-methyl-6-nitrobenzoate
CID 46661386
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660597
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 46827373
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 46660738
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564310
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660739
[(4S)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7531478
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 2407451

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 55367311) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is AYDSBPWWUABXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-6-16-18(14(2)26-21-16)19(24)25-13-17(23)22(20(3,4)5)12-15-10-8-7-9-11-15/h7-11H,6,12-13H2,1-5H3.
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 55367311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).