ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate

C10H10N4O2 — CID 155547250

IUPACethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate
SMILESCCO/C=N/c1nnc(-c2cccnc2)o1
InChIInChI=1S/C10H10N4O2/c1-2-15-7-12-10-14-13-9(16-10)8-4-3-5-11-6-8/h3-7H,2H2,1H3/b12-7+
InChIKeyVEMMITLBNXLUTF-KPKJPENVSA-N
MW218.22 g/mol
LogP1.83
Rot. Bonds4

About ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate

ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate (PubChem CID 155547250) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate.

Molecular Properties

Compound Nameethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate
PubChem CID155547250
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Nameethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate
SMILESCCO/C=N/c1nnc(-c2cccnc2)o1
InChIInChI=1S/C10H10N4O2/c1-2-15-7-12-10-14-13-9(16-10)8-4-3-5-11-6-8/h3-7H,2H2,1H3/b12-7+
InChIKeyVEMMITLBNXLUTF-KPKJPENVSA-N
XLogP1.83
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
1,3,4-Oxadiazole, 2-amino-5-(4-pyridyl)-
CID 12804
1-Piperidin-1-yl-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 1071908
N-cyclopentyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16298011
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
3-[5-(Prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4920344
3-[5-(4-Methyl-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 3135481
1,3,4-Oxadiazole, 2-amino-5-(3-pyridyl)-
CID 21940
1,3,4-Oxadiazol-2-amine, N-phenyl-5-(3-pyridinyl)-
CID 3041662
2,5-Bis(3-pyridyl)-1,3,4-oxadiazole
CID 98903
3-methyl-N-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4645483

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate?
The IUPAC name of ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate (CID 155547250) is ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate.
What is the SMILES notation for ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate?
The canonical SMILES for ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate is CCO/C=N/c1nnc(-c2cccnc2)o1.
What is the InChIKey of ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate?
The InChIKey is VEMMITLBNXLUTF-KPKJPENVSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-2-15-7-12-10-14-13-9(16-10)8-4-3-5-11-6-8/h3-7H,2H2,1H3/b12-7+.
What are the key properties of ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate?
ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate has a molecular weight of 218.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate is sourced from PubChem (CID 155547250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).