5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine

C8H14N2O — CID 66199654

IUPAC5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCc1onc(N)c1CC(C)C
InChIInChI=1S/C8H14N2O/c1-5(2)4-7-6(3)11-10-8(7)9/h5H,4H2,1-3H3,(H2,9,10)
InChIKeyHUBSTTXKGXSOAA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.76
Rot. Bonds2

About 5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine

5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66199654) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66199654
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCc1onc(N)c1CC(C)C
InChIInChI=1S/C8H14N2O/c1-5(2)4-7-6(3)11-10-8(7)9/h5H,4H2,1-3H3,(H2,9,10)
InChIKeyHUBSTTXKGXSOAA-UHFFFAOYSA-N
XLogP1.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66199654) is 5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine is Cc1onc(N)c1CC(C)C.
What is the InChIKey of 5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is HUBSTTXKGXSOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)4-7-6(3)11-10-8(7)9/h5H,4H2,1-3H3,(H2,9,10).
What are the key properties of 5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 154.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).