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

C10H14N2O5 — CID 59332954

IUPAC5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCc1cc(C(=O)O)no1
InChIInChI=1S/C10H14N2O5/c1-10(2,3)16-9(15)11-5-6-4-7(8(13)14)12-17-6/h4H,5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyFOYQJZMQGBWPOW-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.40
Rot. Bonds3

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

5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 59332954) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID59332954
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCc1cc(C(=O)O)no1
InChIInChI=1S/C10H14N2O5/c1-10(2,3)16-9(15)11-5-6-4-7(8(13)14)12-17-6/h4H,5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyFOYQJZMQGBWPOW-UHFFFAOYSA-N
XLogP1.40
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid (CID 59332954) is 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid is CC(C)(C)OC(=O)NCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is FOYQJZMQGBWPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-10(2,3)16-9(15)11-5-6-4-7(8(13)14)12-17-6/h4H,5H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 59332954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).