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

C7H12N2O2 — CID 112693093

IUPAC2-amino-5-butyl-1,3-oxazol-4-one
SMILESCCCCC1OC(N)=NC1=O
InChIInChI=1S/C7H12N2O2/c1-2-3-4-5-6(10)9-7(8)11-5/h5H,2-4H2,1H3,(H2,8,9,10)
InChIKeyOBJSFRMZRXZXRW-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.42
Rot. Bonds3

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

2-amino-5-butyl-1,3-oxazol-4-one (PubChem CID 112693093) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-amino-5-butyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-amino-5-butyl-1,3-oxazol-4-one
PubChem CID112693093
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-amino-5-butyl-1,3-oxazol-4-one
SMILESCCCCC1OC(N)=NC1=O
InChIInChI=1S/C7H12N2O2/c1-2-3-4-5-6(10)9-7(8)11-5/h5H,2-4H2,1H3,(H2,8,9,10)
InChIKeyOBJSFRMZRXZXRW-UHFFFAOYSA-N
XLogP0.42
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-1,3-oxazol-4-one?
The IUPAC name of 2-amino-5-butyl-1,3-oxazol-4-one (CID 112693093) is 2-amino-5-butyl-1,3-oxazol-4-one.
What is the SMILES notation for 2-amino-5-butyl-1,3-oxazol-4-one?
The canonical SMILES for 2-amino-5-butyl-1,3-oxazol-4-one is CCCCC1OC(N)=NC1=O.
What is the InChIKey of 2-amino-5-butyl-1,3-oxazol-4-one?
The InChIKey is OBJSFRMZRXZXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-3-4-5-6(10)9-7(8)11-5/h5H,2-4H2,1H3,(H2,8,9,10).
What are the key properties of 2-amino-5-butyl-1,3-oxazol-4-one?
2-amino-5-butyl-1,3-oxazol-4-one has a molecular weight of 156.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-1,3-oxazol-4-one is sourced from PubChem (CID 112693093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).