2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid

C11H16N2O5 — CID 83814429

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)O)co1
InChIInChI=1S/C11H16N2O5/c1-11(2,3)18-10(16)12-5-4-8-13-7(6-17-8)9(14)15/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLZOVRFNJESHFCK-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.44
Rot. Bonds4

About 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 83814429) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid
PubChem CID83814429
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)O)co1
InChIInChI=1S/C11H16N2O5/c1-11(2,3)18-10(16)12-5-4-8-13-7(6-17-8)9(14)15/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLZOVRFNJESHFCK-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

2-[1-(Tert-butoxycarbonylamino)ethyl]oxazole-4-carboxylic acid
CID 485054
2-({[(Tert-butoxy)carbonyl]amino}methyl)-1,3-oxazole-4-carboxylic acid
CID 11356912
2-(1-((Tert-butoxy)carbonyl)azetidin-3-yl)-1,3-oxazole-4-carboxylic acid
CID 129052206
Methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate hydrochloride
CID 129052618
2-(1-tert-Butoxycarbonylamino-3-methyl-butyl)-oxazole-4-carboxylic acid
CID 485040
Methyl 2-((tert-butoxycarbonylamino)methyl)oxazole-4-carboxylate
CID 11065028
2-(2-Ethoxyethyl)-1,3-oxazole-4-carboxylic acid
CID 62589755
methyl (2S)-3-hydroxy-2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 134854949
Methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazole-4-carboxylate
CID 57744677
(S)-methyl 2-(2-hydroxy-1-pivalamidoethyl)oxazole-4-carboxylate
CID 77059054
Methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
CID 105439902
2-(Methylaminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175774778

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid (CID 83814429) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid is CC(C)(C)OC(=O)NCCc1nc(C(=O)O)co1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is LZOVRFNJESHFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-11(2,3)18-10(16)12-5-4-8-13-7(6-17-8)9(14)15/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-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 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 83814429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).