N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine

C8H10N4O2 — CID 130517495

IUPACN-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(-c2coc(C)n2)no1
InChIInChI=1S/C8H10N4O2/c1-5-10-6(4-13-5)8-11-7(3-9-2)14-12-8/h4,9H,3H2,1-2H3
InChIKeyDEMJGGYJTHUEBG-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.75
Rot. Bonds3

About N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine

N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 130517495) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID130517495
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(-c2coc(C)n2)no1
InChIInChI=1S/C8H10N4O2/c1-5-10-6(4-13-5)8-11-7(3-9-2)14-12-8/h4,9H,3H2,1-2H3
InChIKeyDEMJGGYJTHUEBG-UHFFFAOYSA-N
XLogP0.75
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methyl-1,3-oxazol-4-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 114282546
5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 130517490
2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine
CID 114282698
N-methyl-1-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 91811891
4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114282704
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 121199999
5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 136666197
1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 121199923
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 95757338
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 56760730

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 130517495) is N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine is CNCc1nc(-c2coc(C)n2)no1.
What is the InChIKey of N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is DEMJGGYJTHUEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-5-10-6(4-13-5)8-11-7(3-9-2)14-12-8/h4,9H,3H2,1-2H3.
What are the key properties of N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 194.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 130517495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).