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

C7H9NO4 — CID 118467299

IUPAC(3-propyl-1,2-oxazol-5-yl) hydrogen carbonate
SMILESCCCc1cc(OC(=O)O)on1
InChIInChI=1S/C7H9NO4/c1-2-3-5-4-6(12-8-5)11-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyXCSZCYCHHXHILQ-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.68
Rot. Bonds3

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

(3-propyl-1,2-oxazol-5-yl) hydrogen carbonate (PubChem CID 118467299) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is (3-propyl-1,2-oxazol-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-propyl-1,2-oxazol-5-yl) hydrogen carbonate
PubChem CID118467299
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name(3-propyl-1,2-oxazol-5-yl) hydrogen carbonate
SMILESCCCc1cc(OC(=O)O)on1
InChIInChI=1S/C7H9NO4/c1-2-3-5-4-6(12-8-5)11-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyXCSZCYCHHXHILQ-UHFFFAOYSA-N
XLogP1.68
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-propyl-1,2-oxazol-5-yl) hydrogen carbonate?
The IUPAC name of (3-propyl-1,2-oxazol-5-yl) hydrogen carbonate (CID 118467299) is (3-propyl-1,2-oxazol-5-yl) hydrogen carbonate.
What is the SMILES notation for (3-propyl-1,2-oxazol-5-yl) hydrogen carbonate?
The canonical SMILES for (3-propyl-1,2-oxazol-5-yl) hydrogen carbonate is CCCc1cc(OC(=O)O)on1.
What is the InChIKey of (3-propyl-1,2-oxazol-5-yl) hydrogen carbonate?
The InChIKey is XCSZCYCHHXHILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-2-3-5-4-6(12-8-5)11-7(9)10/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of (3-propyl-1,2-oxazol-5-yl) hydrogen carbonate?
(3-propyl-1,2-oxazol-5-yl) hydrogen carbonate has a molecular weight of 171.15 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,2-oxazol-5-yl) hydrogen carbonate is sourced from PubChem (CID 118467299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).