(3-methyl-1,2-oxazol-5-yl) hydrogen carbonate

C5H5NO4 — CID 22362025

IUPAC(3-methyl-1,2-oxazol-5-yl) hydrogen carbonate
SMILESCc1cc(OC(=O)O)on1
InChIInChI=1S/C5H5NO4/c1-3-2-4(10-6-3)9-5(7)8/h2H,1H3,(H,7,8)
InChIKeyHPOWGVUKONGPIN-UHFFFAOYSA-N
MW143.10 g/mol
LogP1.04
Rot. Bonds1

About (3-methyl-1,2-oxazol-5-yl) hydrogen carbonate

(3-methyl-1,2-oxazol-5-yl) hydrogen carbonate (PubChem CID 22362025) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl) hydrogen carbonate
PubChem CID22362025
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Name(3-methyl-1,2-oxazol-5-yl) hydrogen carbonate
SMILESCc1cc(OC(=O)O)on1
InChIInChI=1S/C5H5NO4/c1-3-2-4(10-6-3)9-5(7)8/h2H,1H3,(H,7,8)
InChIKeyHPOWGVUKONGPIN-UHFFFAOYSA-N
XLogP1.04
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl) hydrogen carbonate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl) hydrogen carbonate (CID 22362025) is (3-methyl-1,2-oxazol-5-yl) hydrogen carbonate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl) hydrogen carbonate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl) hydrogen carbonate is Cc1cc(OC(=O)O)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl) hydrogen carbonate?
The InChIKey is HPOWGVUKONGPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4/c1-3-2-4(10-6-3)9-5(7)8/h2H,1H3,(H,7,8).
What are the key properties of (3-methyl-1,2-oxazol-5-yl) hydrogen carbonate?
(3-methyl-1,2-oxazol-5-yl) hydrogen carbonate has a molecular weight of 143.10 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl) hydrogen carbonate is sourced from PubChem (CID 22362025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).