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

C15H26N2O5 — CID 163398619

IUPACethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate
SMILESCCCC1(C(=O)OCC)CC(CNC(=O)OC(C)(C)C)=NO1
InChIInChI=1S/C15H26N2O5/c1-6-8-15(12(18)20-7-2)9-11(17-22-15)10-16-13(19)21-14(3,4)5/h6-10H2,1-5H3,(H,16,19)
InChIKeyYSPJXFDJRABGMG-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.39
Rot. Bonds6

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

ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 163398619) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate
PubChem CID163398619
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nameethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate
SMILESCCCC1(C(=O)OCC)CC(CNC(=O)OC(C)(C)C)=NO1
InChIInChI=1S/C15H26N2O5/c1-6-8-15(12(18)20-7-2)9-11(17-22-15)10-16-13(19)21-14(3,4)5/h6-10H2,1-5H3,(H,16,19)
InChIKeyYSPJXFDJRABGMG-UHFFFAOYSA-N
XLogP2.39
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4H-1,2-oxazole-5-carboxylate
CID 163398742
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-triazole-4-carboxylate
CID 103121222
ethyl 3-[(1S)-2-methyl-1-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propyl]-5-pentyl-4H-1,2-oxazole-5-carboxylate
CID 139945695
ethyl 3-(aminomethyl)-5-(2-phenylethyl)-4H-1,2-oxazole-5-carboxylate;hydrochloride
CID 163398797
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
cyclopentane;ethyl 2-propyloxirane-2-carboxylate
CID 88748989
ethyl 1-(3-hydroxypropyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazole-4-carboxylate
CID 103121149
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 3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 24729717
ethyl 3-(aminomethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,2-oxazole-5-carboxylate
CID 163398294
ethyl 5-(1-fluorocyclopropyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylate
CID 142621130

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate (CID 163398619) is ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate is CCCC1(C(=O)OCC)CC(CNC(=O)OC(C)(C)C)=NO1.
What is the InChIKey of ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is YSPJXFDJRABGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-6-8-15(12(18)20-7-2)9-11(17-22-15)10-16-13(19)21-14(3,4)5/h6-10H2,1-5H3,(H,16,19).
What are the key properties of ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate?
ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-propyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 163398619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).