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

C9H12N2O5 — CID 175654041

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1coc(C(=O)O)n1
InChIInChI=1S/C9H12N2O5/c1-9(2,3)16-8(14)11-5-4-15-6(10-5)7(12)13/h4H,1-3H3,(H,11,14)(H,12,13)
InChIKeyXLIPWQKMOLGZBL-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.72
Rot. Bonds2

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

4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid (PubChem CID 175654041) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid
PubChem CID175654041
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1coc(C(=O)O)n1
InChIInChI=1S/C9H12N2O5/c1-9(2,3)16-8(14)11-5-4-15-6(10-5)7(12)13/h4H,1-3H3,(H,11,14)(H,12,13)
InChIKeyXLIPWQKMOLGZBL-UHFFFAOYSA-N
XLogP1.72
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate
CID 69222861
tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
CID 86086992
2-[3-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetic acid
CID 68842909
tert-butyl N-(5-methylfuran-3-yl)carbamate
CID 130056498
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
CID 140956975
tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate
CID 178071462
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid (CID 175654041) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid is CC(C)(C)OC(=O)Nc1coc(C(=O)O)n1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid?
The InChIKey is XLIPWQKMOLGZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-9(2,3)16-8(14)11-5-4-15-6(10-5)7(12)13/h4H,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid has a molecular weight of 228.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 175654041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).