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

C13H21N5O — CID 66194089

IUPACN-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ncc(C(C)(C)C)o2)nn1
InChIInChI=1S/C13H21N5O/c1-5-14-6-10-8-18(17-16-10)9-12-15-7-11(19-12)13(2,3)4/h7-8,14H,5-6,9H2,1-4H3
InChIKeyBZNAHPNOJBAHOI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.72
Rot. Bonds5

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

N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66194089) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66194089
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ncc(C(C)(C)C)o2)nn1
InChIInChI=1S/C13H21N5O/c1-5-14-6-10-8-18(17-16-10)9-12-15-7-11(19-12)13(2,3)4/h7-8,14H,5-6,9H2,1-4H3
InChIKeyBZNAHPNOJBAHOI-UHFFFAOYSA-N
XLogP1.72
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 66194089) is N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2ncc(C(C)(C)C)o2)nn1.
What is the InChIKey of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is BZNAHPNOJBAHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-14-6-10-8-18(17-16-10)9-12-15-7-11(19-12)13(2,3)4/h7-8,14H,5-6,9H2,1-4H3.
What are the key properties of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66194089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).