N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine

C8H9N5O3 — CID 139700017

IUPACN-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine
SMILESCON=C(c1noc(C)n1)c1noc(C)n1
InChIInChI=1S/C8H9N5O3/c1-4-9-7(12-15-4)6(11-14-3)8-10-5(2)16-13-8/h1-3H3
InChIKeyVJSSIICSKZECRD-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.47
Rot. Bonds3

About N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine

N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine (PubChem CID 139700017) has the molecular formula C8H9N5O3 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine.

Molecular Properties

Compound NameN-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine
PubChem CID139700017
Molecular FormulaC8H9N5O3
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC NameN-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine
SMILESCON=C(c1noc(C)n1)c1noc(C)n1
InChIInChI=1S/C8H9N5O3/c1-4-9-7(12-15-4)6(11-14-3)8-10-5(2)16-13-8/h1-3H3
InChIKeyVJSSIICSKZECRD-UHFFFAOYSA-N
XLogP0.47
TPSA99.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(2-Ethoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 132377062
5-Methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazole
CID 68230696
Bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
CID 142469483
CID 142469483
3-Tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole
CID 158174251
bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole
CID 158273965
3-[(1R)-1-isothiocyanatoethyl]-5-methyl-1,2,4-oxadiazole;3-[(1S)-1-isothiocyanatoethyl]-5-methyl-1,2,4-oxadiazole
CID 160518910
3,5-Di(propan-2-yl)-1,2,4-oxadiazole
CID 160948572
3-Ethyl-5-methyl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 161873012
3,5-Dimethyl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole
CID 162019047
3-Tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane
CID 168261948
3-Methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 168934014

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine?
The IUPAC name of N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine (CID 139700017) is N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine.
What is the SMILES notation for N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine?
The canonical SMILES for N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine is CON=C(c1noc(C)n1)c1noc(C)n1.
What is the InChIKey of N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine?
The InChIKey is VJSSIICSKZECRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3/c1-4-9-7(12-15-4)6(11-14-3)8-10-5(2)16-13-8/h1-3H3.
What are the key properties of N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine?
N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine has a molecular weight of 223.19 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,1-bis(5-methyl-1,2,4-oxadiazol-3-yl)methanimine is sourced from PubChem (CID 139700017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).