5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid

C11H16N2O5 — CID 67426969

IUPAC5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCc1cc(C(=O)O)no1
InChIInChI=1S/C11H16N2O5/c1-11(2,3)17-10(16)12-5-4-7-6-8(9(14)15)13-18-7/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyJENSYBUZSUONAU-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.44
Rot. Bonds4

About 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid

5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 67426969) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID67426969
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCc1cc(C(=O)O)no1
InChIInChI=1S/C11H16N2O5/c1-11(2,3)17-10(16)12-5-4-7-6-8(9(14)15)13-18-7/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyJENSYBUZSUONAU-UHFFFAOYSA-N
XLogP1.44
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103261415
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
CID 10588096
methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]furan-3-carboxylate
CID 99988506
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-pyrazole-4-carboxylic acid
CID 154853419
tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 56965834
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
CID 114518085
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]quinoline-2-carboxylic acid
CID 157399195
3-fluoro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 121396817
5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264538

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid (CID 67426969) is 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid is CC(C)(C)OC(=O)NCCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is JENSYBUZSUONAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-11(2,3)17-10(16)12-5-4-7-6-8(9(14)15)13-18-7/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid?
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 67426969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).