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

C8H14N2O — CID 2117533

IUPAC3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)(C)Cc1cc(N)on1
InChIInChI=1S/C8H14N2O/c1-8(2,3)5-6-4-7(9)11-10-6/h4H,5,9H2,1-3H3
InChIKeyYHCHATDVXPJZKU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.85
Rot. Bonds1

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

3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine (PubChem CID 2117533) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine
PubChem CID2117533
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)(C)Cc1cc(N)on1
InChIInChI=1S/C8H14N2O/c1-8(2,3)5-6-4-7(9)11-10-6/h4H,5,9H2,1-3H3
InChIKeyYHCHATDVXPJZKU-UHFFFAOYSA-N
XLogP1.85
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine (CID 2117533) is 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine is CC(C)(C)Cc1cc(N)on1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine?
The InChIKey is YHCHATDVXPJZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)5-6-4-7(9)11-10-6/h4H,5,9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine?
3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine has a molecular weight of 154.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 2117533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).