N-methyl-1-(1,2-oxazol-3-yl)methanamine

C5H8N2O — CID 23006272

IUPACN-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCNCc1ccon1
InChIInChI=1S/C5H8N2O/c1-6-4-5-2-3-8-7-5/h2-3,6H,4H2,1H3
InChIKeyJSJAXEJEZXYKLY-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.39
Rot. Bonds2

About N-methyl-1-(1,2-oxazol-3-yl)methanamine

N-methyl-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 23006272) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-methyl-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,2-oxazol-3-yl)methanamine
PubChem CID23006272
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCNCc1ccon1
InChIInChI=1S/C5H8N2O/c1-6-4-5-2-3-8-7-5/h2-3,6H,4H2,1H3
InChIKeyJSJAXEJEZXYKLY-UHFFFAOYSA-N
XLogP0.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1,2-oxazol-3-yl)methanamine (CID 23006272) is N-methyl-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1,2-oxazol-3-yl)methanamine is CNCc1ccon1.
What is the InChIKey of N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is JSJAXEJEZXYKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-6-4-5-2-3-8-7-5/h2-3,6H,4H2,1H3.
What are the key properties of N-methyl-1-(1,2-oxazol-3-yl)methanamine?
N-methyl-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 112.13 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 23006272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).