4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine

C8H11N5O — CID 106567821

IUPAC4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
SMILESCc1cn(Cc2nc(C)no2)c(N)n1
InChIInChI=1S/C8H11N5O/c1-5-3-13(8(9)10-5)4-7-11-6(2)12-14-7/h3H,4H2,1-2H3,(H2,9,10)
InChIKeyJXXUEORUSHGNKV-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.51
Rot. Bonds2

About 4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine

4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine (PubChem CID 106567821) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
PubChem CID106567821
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
SMILESCc1cn(Cc2nc(C)no2)c(N)n1
InChIInChI=1S/C8H11N5O/c1-5-3-13(8(9)10-5)4-7-11-6(2)12-14-7/h3H,4H2,1-2H3,(H2,9,10)
InChIKeyJXXUEORUSHGNKV-UHFFFAOYSA-N
XLogP0.51
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567823
4-iodo-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-2-carboxylic acid
CID 114604834
5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114582854
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine
CID 66407282
4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
CID 115508797
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718043
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115659257
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one
CID 116624641
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66415310
4-acetyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-2-carboxylic acid
CID 114604838
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66400955
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
CID 79106524

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine (CID 106567821) is 4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine is Cc1cn(Cc2nc(C)no2)c(N)n1.
What is the InChIKey of 4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine?
The InChIKey is JXXUEORUSHGNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-3-13(8(9)10-5)4-7-11-6(2)12-14-7/h3H,4H2,1-2H3,(H2,9,10).
What are the key properties of 4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine?
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine has a molecular weight of 193.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106567821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).