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

C10H18N2O — CID 79144683

IUPACN-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCCNCc1ncoc1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-5-11-6-8-9(10(2,3)4)13-7-12-8/h7,11H,5-6H2,1-4H3
InChIKeyUWNKTIWZQLDGPY-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.08
Rot. Bonds3

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

N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 79144683) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID79144683
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCCNCc1ncoc1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-5-11-6-8-9(10(2,3)4)13-7-12-8/h7,11H,5-6H2,1-4H3
InChIKeyUWNKTIWZQLDGPY-UHFFFAOYSA-N
XLogP2.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine (CID 79144683) is N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine is CCNCc1ncoc1C(C)(C)C.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is UWNKTIWZQLDGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-11-6-8-9(10(2,3)4)13-7-12-8/h7,11H,5-6H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine?
N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 182.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 79144683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).