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

C8H11N5O — CID 130987509

IUPAC1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine
SMILESCC(Nc1nccn1C)c1ncon1
InChIInChI=1S/C8H11N5O/c1-6(7-10-5-14-12-7)11-8-9-3-4-13(8)2/h3-6H,1-2H3,(H,9,11)
InChIKeyXGGYTKUVQZKSIV-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.98
Rot. Bonds3

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

1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine (PubChem CID 130987509) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine
PubChem CID130987509
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine
SMILESCC(Nc1nccn1C)c1ncon1
InChIInChI=1S/C8H11N5O/c1-6(7-10-5-14-12-7)11-8-9-3-4-13(8)2/h3-6H,1-2H3,(H,9,11)
InChIKeyXGGYTKUVQZKSIV-UHFFFAOYSA-N
XLogP0.98
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-1-methylimidazol-2-amine
CID 62133310
1-methyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 62132755
1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
CID 62133640
1-methyl-N-pentan-3-ylimidazol-2-amine
CID 62132399
1-N,1-N-dimethyl-2-N-(1-methylimidazol-2-yl)propane-1,2-diamine
CID 82937558
N-[1-(2,2-dimethylcyclopropyl)ethyl]-1-methylimidazol-2-amine
CID 131145216
N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide
CID 62133303
2-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 62132542
4-methyl-2-[(1-methylimidazol-2-yl)amino]pentan-1-ol
CID 62133297
1-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
CID 83143894
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-amine
CID 62133823
N-hexan-3-yl-1-methylimidazol-2-amine
CID 62133661

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine?
The IUPAC name of 1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine (CID 130987509) is 1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine is CC(Nc1nccn1C)c1ncon1.
What is the InChIKey of 1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine?
The InChIKey is XGGYTKUVQZKSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-6(7-10-5-14-12-7)11-8-9-3-4-13(8)2/h3-6H,1-2H3,(H,9,11).
What are the key properties of 1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine?
1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine has a molecular weight of 193.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 130987509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).