[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine

C8H14N2O — CID 6484233

IUPAC[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine
SMILESCC(C)Cc1cc(CN)on1
InChIInChI=1S/C8H14N2O/c1-6(2)3-7-4-8(5-9)11-10-7/h4,6H,3,5,9H2,1-2H3
InChIKeyXQEQBJYRBWRLCS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.33
Rot. Bonds3

About [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine

[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine (PubChem CID 6484233) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine
PubChem CID6484233
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine
SMILESCC(C)Cc1cc(CN)on1
InChIInChI=1S/C8H14N2O/c1-6(2)3-7-4-8(5-9)11-10-7/h4,6H,3,5,9H2,1-2H3
InChIKeyXQEQBJYRBWRLCS-UHFFFAOYSA-N
XLogP1.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine (CID 6484233) is [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine is CC(C)Cc1cc(CN)on1.
What is the InChIKey of [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine?
The InChIKey is XQEQBJYRBWRLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)3-7-4-8(5-9)11-10-7/h4,6H,3,5,9H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine?
[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine has a molecular weight of 154.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 6484233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).