[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate

C9H12N2O6 — CID 89497332

IUPAC[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate
SMILESCC(C)(C)OC(=O)Nc1ncc(OC(=O)O)o1
InChIInChI=1S/C9H12N2O6/c1-9(2,3)17-7(12)11-6-10-4-5(15-6)16-8(13)14/h4H,1-3H3,(H,13,14)(H,10,11,12)
InChIKeyLQNDEOMKZHTDBN-UHFFFAOYSA-N
MW244.20 g/mol
LogP2.08
Rot. Bonds2

About [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate

[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate (PubChem CID 89497332) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate
PubChem CID89497332
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate
SMILESCC(C)(C)OC(=O)Nc1ncc(OC(=O)O)o1
InChIInChI=1S/C9H12N2O6/c1-9(2,3)17-7(12)11-6-10-4-5(15-6)16-8(13)14/h4H,1-3H3,(H,13,14)(H,10,11,12)
InChIKeyLQNDEOMKZHTDBN-UHFFFAOYSA-N
XLogP2.08
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] N-benzyl-N-ethylcarbamate
CID 174494005
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]carbamate
CID 59149477
tert-butyl N-(4-bromo-1,3-benzoxazol-2-yl)carbamate
CID 163409910
4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
CID 125454593
tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate
CID 70162859
tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate
CID 91620202
tert-butyl N-(5-bromo-2-oxo-1H-pyrimidin-6-yl)carbamate
CID 69088343
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate (CID 89497332) is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate is CC(C)(C)OC(=O)Nc1ncc(OC(=O)O)o1.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate?
The InChIKey is LQNDEOMKZHTDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6/c1-9(2,3)17-7(12)11-6-10-4-5(15-6)16-8(13)14/h4H,1-3H3,(H,13,14)(H,10,11,12).
What are the key properties of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate?
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate has a molecular weight of 244.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate is sourced from PubChem (CID 89497332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).