ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate

C13H20N2O5 — CID 52911130

IUPACethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O5/c1-6-18-11(16)9-10(19-7-14-9)8(2)15-12(17)20-13(3,4)5/h7-8H,6H2,1-5H3,(H,15,17)/t8-/m1/s1
InChIKeyXWMGDDWCHXFLSM-MRVPVSSYSA-N
MW284.31 g/mol
LogP2.44
Rot. Bonds4

About ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate

ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate (PubChem CID 52911130) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
PubChem CID52911130
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Nameethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O5/c1-6-18-11(16)9-10(19-7-14-9)8(2)15-12(17)20-13(3,4)5/h7-8H,6H2,1-5H3,(H,15,17)/t8-/m1/s1
InChIKeyXWMGDDWCHXFLSM-MRVPVSSYSA-N
XLogP2.44
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 4712684
1-(4-ethoxycarbonyl-1,3-oxazol-5-yl)ethylcarbamic acid
CID 46839934
(3-methoxy-2-phenylmethoxyphenyl) 5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 174981198
tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate
CID 10661007
ethyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 59421483
[3-(difluoromethoxy)-2-phenylmethoxyphenyl] 5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 174981142
ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
CID 67778422
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]benzoate
CID 110428354
tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate
CID 68670260
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-triazole-4-carboxylate
CID 103121222

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate (CID 52911130) is ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate?
The InChIKey is XWMGDDWCHXFLSM-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-6-18-11(16)9-10(19-7-14-9)8(2)15-12(17)20-13(3,4)5/h7-8H,6H2,1-5H3,(H,15,17)/t8-/m1/s1.
What are the key properties of ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 52911130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).