N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine

C6H12N2O — CID 91127067

IUPACN,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine
SMILESCN(C)CN1C=COC1
InChIInChI=1S/C6H12N2O/c1-7(2)5-8-3-4-9-6-8/h3-4H,5-6H2,1-2H3
InChIKeyZYRDINXLMAKHOC-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.27
Rot. Bonds2

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

N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine (PubChem CID 91127067) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine
PubChem CID91127067
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine
SMILESCN(C)CN1C=COC1
InChIInChI=1S/C6H12N2O/c1-7(2)5-8-3-4-9-6-8/h3-4H,5-6H2,1-2H3
InChIKeyZYRDINXLMAKHOC-UHFFFAOYSA-N
XLogP0.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine (CID 91127067) is N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine is CN(C)CN1C=COC1.
What is the InChIKey of N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine?
The InChIKey is ZYRDINXLMAKHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7(2)5-8-3-4-9-6-8/h3-4H,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine?
N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine has a molecular weight of 128.17 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2H-1,3-oxazol-3-yl)methanamine is sourced from PubChem (CID 91127067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).