4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one

C10H14N2O4 — CID 174250176

IUPAC4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one
SMILESC=CCC1CCC(=O)O1.Nc1co[nH]c1=O
InChIInChI=1S/C7H10O2.C3H4N2O2/c1-2-3-6-4-5-7(8)9-6;4-2-1-7-5-3(2)6/h2,6H,1,3-5H2;1H,4H2,(H,5,6)
InChIKeyJPURLFSEKLPSIK-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.82
Rot. Bonds2

About 4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one

4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one (PubChem CID 174250176) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one
PubChem CID174250176
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one
SMILESC=CCC1CCC(=O)O1.Nc1co[nH]c1=O
InChIInChI=1S/C7H10O2.C3H4N2O2/c1-2-3-6-4-5-7(8)9-6;4-2-1-7-5-3(2)6/h2,6H,1,3-5H2;1H,4H2,(H,5,6)
InChIKeyJPURLFSEKLPSIK-UHFFFAOYSA-N
XLogP0.82
TPSA98.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one?
The IUPAC name of 4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one (CID 174250176) is 4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one.
What is the SMILES notation for 4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one?
The canonical SMILES for 4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one is C=CCC1CCC(=O)O1.Nc1co[nH]c1=O.
What is the InChIKey of 4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one?
The InChIKey is JPURLFSEKLPSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C3H4N2O2/c1-2-3-6-4-5-7(8)9-6;4-2-1-7-5-3(2)6/h2,6H,1,3-5H2;1H,4H2,(H,5,6).
What are the key properties of 4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one?
4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one has a molecular weight of 226.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-oxazol-3-one;5-prop-2-enyloxolan-2-one is sourced from PubChem (CID 174250176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).