5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

C12H15ClN4O — CID 106958149

IUPAC5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCN(Cc1cccc(C)n1)c1nnc(CCl)o1
InChIInChI=1S/C12H15ClN4O/c1-3-17(12-16-15-11(7-13)18-12)8-10-6-4-5-9(2)14-10/h4-6H,3,7-8H2,1-2H3
InChIKeyXQCXBBRHOJJDPJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.54
Rot. Bonds5

About 5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106958149) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106958149
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCN(Cc1cccc(C)n1)c1nnc(CCl)o1
InChIInChI=1S/C12H15ClN4O/c1-3-17(12-16-15-11(7-13)18-12)8-10-6-4-5-9(2)14-10/h4-6H,3,7-8H2,1-2H3
InChIKeyXQCXBBRHOJJDPJ-UHFFFAOYSA-N
XLogP2.54
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963296
[2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol
CID 113377488
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106956824
2-(chloromethyl)-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 16789153
3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 102751537
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79260631
5-(chloromethyl)-N-ethyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958121
3-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]propan-1-ol
CID 106958612
6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80947381
5-[(tert-butylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963085
4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80851849
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
CID 80652405

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106958149) is 5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is CCN(Cc1cccc(C)n1)c1nnc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XQCXBBRHOJJDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-3-17(12-16-15-11(7-13)18-12)8-10-6-4-5-9(2)14-10/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 266.73 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106958149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).