3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine

C9H14N2O — CID 162485557

IUPAC3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine
SMILESCC1(C)CC(c2cc(N)on2)C1
InChIInChI=1S/C9H14N2O/c1-9(2)4-6(5-9)7-3-8(10)12-11-7/h3,6H,4-5,10H2,1-2H3
InChIKeyFPVJIZIHNFOULB-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.16
Rot. Bonds1

About 3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine

3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine (PubChem CID 162485557) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine
PubChem CID162485557
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine
SMILESCC1(C)CC(c2cc(N)on2)C1
InChIInChI=1S/C9H14N2O/c1-9(2)4-6(5-9)7-3-8(10)12-11-7/h3,6H,4-5,10H2,1-2H3
InChIKeyFPVJIZIHNFOULB-UHFFFAOYSA-N
XLogP2.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine (CID 162485557) is 3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine is CC1(C)CC(c2cc(N)on2)C1.
What is the InChIKey of 3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine?
The InChIKey is FPVJIZIHNFOULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2)4-6(5-9)7-3-8(10)12-11-7/h3,6H,4-5,10H2,1-2H3.
What are the key properties of 3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine?
3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine has a molecular weight of 166.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 162485557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).