N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine

C7H12N2O2 — CID 89018600

IUPACN-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCCNCc1cc(OC)no1
InChIInChI=1S/C7H12N2O2/c1-3-8-5-6-4-7(10-2)9-11-6/h4,8H,3,5H2,1-2H3
InChIKeyPJGOMCDJOYBWAJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.79
Rot. Bonds4

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

N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine (PubChem CID 89018600) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine
PubChem CID89018600
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCCNCc1cc(OC)no1
InChIInChI=1S/C7H12N2O2/c1-3-8-5-6-4-7(10-2)9-11-6/h4,8H,3,5H2,1-2H3
InChIKeyPJGOMCDJOYBWAJ-UHFFFAOYSA-N
XLogP0.79
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine (CID 89018600) is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine is CCNCc1cc(OC)no1.
What is the InChIKey of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine?
The InChIKey is PJGOMCDJOYBWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-8-5-6-4-7(10-2)9-11-6/h4,8H,3,5H2,1-2H3.
What are the key properties of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine?
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine has a molecular weight of 156.18 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 89018600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).