1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine

C13H21N5O — CID 104579665

IUPAC1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCc1cnc(C(C)NCc2ncnn2CC(C)C)o1
InChIInChI=1S/C13H21N5O/c1-9(2)7-18-12(16-8-17-18)6-14-11(4)13-15-5-10(3)19-13/h5,8-9,11,14H,6-7H2,1-4H3
InChIKeyAZDJCIMHOGOBSL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds6

About 1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine

1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine (PubChem CID 104579665) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
PubChem CID104579665
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCc1cnc(C(C)NCc2ncnn2CC(C)C)o1
InChIInChI=1S/C13H21N5O/c1-9(2)7-18-12(16-8-17-18)6-14-11(4)13-15-5-10(3)19-13/h5,8-9,11,14H,6-7H2,1-4H3
InChIKeyAZDJCIMHOGOBSL-UHFFFAOYSA-N
XLogP2.08
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine (CID 104579665) is 1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The canonical SMILES for 1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine is Cc1cnc(C(C)NCc2ncnn2CC(C)C)o1.
What is the InChIKey of 1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The InChIKey is AZDJCIMHOGOBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(2)7-18-12(16-8-17-18)6-14-11(4)13-15-5-10(3)19-13/h5,8-9,11,14H,6-7H2,1-4H3.
What are the key properties of 1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 104579665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).