5-amino-4-propyl-1,2-oxazol-3-one

C6H10N2O2 — CID 55289032

IUPAC5-amino-4-propyl-1,2-oxazol-3-one
SMILESCCCc1c(N)o[nH]c1=O
InChIInChI=1S/C6H10N2O2/c1-2-3-4-5(7)10-8-6(4)9/h2-3,7H2,1H3,(H,8,9)
InChIKeyHYQCABQBHGWOOV-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.50
Rot. Bonds2

About 5-amino-4-propyl-1,2-oxazol-3-one

5-amino-4-propyl-1,2-oxazol-3-one (PubChem CID 55289032) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-amino-4-propyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-amino-4-propyl-1,2-oxazol-3-one
PubChem CID55289032
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name5-amino-4-propyl-1,2-oxazol-3-one
SMILESCCCc1c(N)o[nH]c1=O
InChIInChI=1S/C6H10N2O2/c1-2-3-4-5(7)10-8-6(4)9/h2-3,7H2,1H3,(H,8,9)
InChIKeyHYQCABQBHGWOOV-UHFFFAOYSA-N
XLogP0.50
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-propyl-1,2-oxazol-3-one?
The IUPAC name of 5-amino-4-propyl-1,2-oxazol-3-one (CID 55289032) is 5-amino-4-propyl-1,2-oxazol-3-one.
What is the SMILES notation for 5-amino-4-propyl-1,2-oxazol-3-one?
The canonical SMILES for 5-amino-4-propyl-1,2-oxazol-3-one is CCCc1c(N)o[nH]c1=O.
What is the InChIKey of 5-amino-4-propyl-1,2-oxazol-3-one?
The InChIKey is HYQCABQBHGWOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-3-4-5(7)10-8-6(4)9/h2-3,7H2,1H3,(H,8,9).
What are the key properties of 5-amino-4-propyl-1,2-oxazol-3-one?
5-amino-4-propyl-1,2-oxazol-3-one has a molecular weight of 142.16 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-propyl-1,2-oxazol-3-one is sourced from PubChem (CID 55289032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).