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

C8H11N5O — CID 106718043

IUPAC[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine
SMILESCc1noc(Cn2cnc(CN)c2)n1
InChIInChI=1S/C8H11N5O/c1-6-11-8(14-12-6)4-13-3-7(2-9)10-5-13/h3,5H,2,4,9H2,1H3
InChIKeyKOBABMRJZLJILE-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.08
Rot. Bonds3

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

[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine (PubChem CID 106718043) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine
PubChem CID106718043
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine
SMILESCc1noc(Cn2cnc(CN)c2)n1
InChIInChI=1S/C8H11N5O/c1-6-11-8(14-12-6)4-13-3-7(2-9)10-5-13/h3,5H,2,4,9H2,1H3
InChIKeyKOBABMRJZLJILE-UHFFFAOYSA-N
XLogP0.08
TPSA82.76 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 ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718044
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine
CID 66407282
(1-benzylimidazol-4-yl)methanamine
CID 82281097
[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718078
N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719161
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
CID 82468655
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carbaldehyde
CID 66409452
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567821
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
CID 106718122
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637694
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride
CID 23301773

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine (CID 106718043) is [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine is Cc1noc(Cn2cnc(CN)c2)n1.
What is the InChIKey of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine?
The InChIKey is KOBABMRJZLJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-6-11-8(14-12-6)4-13-3-7(2-9)10-5-13/h3,5H,2,4,9H2,1H3.
What are the key properties of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine?
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine has a molecular weight of 193.21 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 106718043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).