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

C13H22N2O5 — CID 163398742

IUPACethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C)CC(CNC(=O)OC(C)(C)C)=NO1
InChIInChI=1S/C13H22N2O5/c1-6-18-10(16)13(5)7-9(15-20-13)8-14-11(17)19-12(2,3)4/h6-8H2,1-5H3,(H,14,17)
InChIKeyFDKHJWWQGVRGIY-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.61
Rot. Bonds4

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

ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate (PubChem CID 163398742) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate
PubChem CID163398742
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Nameethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C)CC(CNC(=O)OC(C)(C)C)=NO1
InChIInChI=1S/C13H22N2O5/c1-6-18-10(16)13(5)7-9(15-20-13)8-14-11(17)19-12(2,3)4/h6-8H2,1-5H3,(H,14,17)
InChIKeyFDKHJWWQGVRGIY-UHFFFAOYSA-N
XLogP1.61
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate
CID 163398619
ethyl 3-chloro-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 156692971
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-triazole-4-carboxylate
CID 103121222
ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazole-5-carboxylate
CID 50742305
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
CID 10588096
ethyl 5-(1-fluorocyclopropyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylate
CID 142621130
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxylate
CID 163398407
ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10857788
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate
CID 67520206
ethyl 3-(5-chloro-3-pyridinyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 118270962
methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
CID 544674

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate (CID 163398742) is ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(C)CC(CNC(=O)OC(C)(C)C)=NO1.
What is the InChIKey of ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate?
The InChIKey is FDKHJWWQGVRGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-6-18-10(16)13(5)7-9(15-20-13)8-14-11(17)19-12(2,3)4/h6-8H2,1-5H3,(H,14,17).
What are the key properties of ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate?
ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 163398742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).