3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine

C8H15N3O — CID 112710409

IUPAC3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine
SMILESCC(C)CC(N)c1cc(N)on1
InChIInChI=1S/C8H15N3O/c1-5(2)3-6(9)7-4-8(10)12-11-7/h4-6H,3,9-10H2,1-2H3
InChIKeyZLGUPENCENAUSR-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.30
Rot. Bonds3

About 3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine

3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine (PubChem CID 112710409) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine
PubChem CID112710409
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine
SMILESCC(C)CC(N)c1cc(N)on1
InChIInChI=1S/C8H15N3O/c1-5(2)3-6(9)7-4-8(10)12-11-7/h4-6H,3,9-10H2,1-2H3
InChIKeyZLGUPENCENAUSR-UHFFFAOYSA-N
XLogP1.30
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine (CID 112710409) is 3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine is CC(C)CC(N)c1cc(N)on1.
What is the InChIKey of 3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine?
The InChIKey is ZLGUPENCENAUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(2)3-6(9)7-4-8(10)12-11-7/h4-6H,3,9-10H2,1-2H3.
What are the key properties of 3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine?
3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine has a molecular weight of 169.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3-methylbutyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 112710409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).