1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine

C15H12ClN5O — CID 158326180

IUPAC1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine
SMILESCc1ccc(C/N=C/c2noc(-c3cccc(Cl)n3)n2)nc1
InChIInChI=1S/C15H12ClN5O/c1-10-5-6-11(18-7-10)8-17-9-14-20-15(22-21-14)12-3-2-4-13(16)19-12/h2-7,9H,8H2,1H3/b17-9+
InChIKeyGPKZFCVXQIHGQR-RQZCQDPDSA-N
MW313.75 g/mol
LogP3.11
Rot. Bonds4

About 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine

1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine (PubChem CID 158326180) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine.

Molecular Properties

Compound Name1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine
PubChem CID158326180
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine
SMILESCc1ccc(C/N=C/c2noc(-c3cccc(Cl)n3)n2)nc1
InChIInChI=1S/C15H12ClN5O/c1-10-5-6-11(18-7-10)8-17-9-14-20-15(22-21-14)12-3-2-4-13(16)19-12/h2-7,9H,8H2,1H3/b17-9+
InChIKeyGPKZFCVXQIHGQR-RQZCQDPDSA-N
XLogP3.11
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine with MolForge

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Launch Full Analysis

Related Compounds

[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine
CID 145143003
2-(6-chloro-2-pyridinyl)-3-(iodomethyl)-5-methylpyridine
CID 146981349
2-chloro-6-(6-chloro-2-pyridinyl)pyridine
CID 10987918
(5-methyl-2-pyridinyl)methanolate
CID 153447855
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
2-methyl-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 130440766
2-(5-methyl-2-pyridinyl)acetonitrile
CID 583430
2-(5-methyl-2-pyridinyl)-1-naphthalen-1-ylethanamine
CID 66446913
2-chloro-3-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 113344595
(5-methyl-2-pyridinyl)methanol;hydrochloride
CID 91620369
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495
3-(1-chloropropyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 103095388

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine?
The IUPAC name of 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine (CID 158326180) is 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine.
What is the SMILES notation for 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine?
The canonical SMILES for 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine is Cc1ccc(C/N=C/c2noc(-c3cccc(Cl)n3)n2)nc1.
What is the InChIKey of 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine?
The InChIKey is GPKZFCVXQIHGQR-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12ClN5O/c1-10-5-6-11(18-7-10)8-17-9-14-20-15(22-21-14)12-3-2-4-13(16)19-12/h2-7,9H,8H2,1H3/b17-9+.
What are the key properties of 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine?
1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine has a molecular weight of 313.75 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-[(5-methyl-2-pyridinyl)methyl]methanimine is sourced from PubChem (CID 158326180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).