methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane

C4H5AlN2O — CID 152789619

IUPACmethylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane
SMILESC=[Al]c1noc(C)n1
InChIInChI=1S/C3H3N2O.CH2.Al/c1-3-4-2-5-6-3;;/h1H3;1H2;
InChIKeySEDJAKRCFSXIKF-UHFFFAOYSA-N
MW124.08 g/mol
LogP-0.86
Rot. Bonds1

About methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane

methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane (PubChem CID 152789619) has the molecular formula C4H5AlN2O and a molecular weight of 124.08 g/mol. Its IUPAC name is methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane.

Molecular Properties

Compound Namemethylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane
PubChem CID152789619
Molecular FormulaC4H5AlN2O
Molecular Weight124.08 g/mol
Exact Mass124.02
IUPAC Namemethylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane
SMILESC=[Al]c1noc(C)n1
InChIInChI=1S/C3H3N2O.CH2.Al/c1-3-4-2-5-6-3;;/h1H3;1H2;
InChIKeySEDJAKRCFSXIKF-UHFFFAOYSA-N
XLogP-0.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.08
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide
CID 143084717
methyl-methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)phosphanium
CID 91233630
5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
N,N-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethenamine
CID 123763792
3-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138534842
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103748222
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931523
1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75525832
5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole
CID 89019114

Frequently Asked Questions

What is the IUPAC name of methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane?
The IUPAC name of methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane (CID 152789619) is methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane.
What is the SMILES notation for methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane?
The canonical SMILES for methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane is C=[Al]c1noc(C)n1.
What is the InChIKey of methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane?
The InChIKey is SEDJAKRCFSXIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2O.CH2.Al/c1-3-4-2-5-6-3;;/h1H3;1H2;.
What are the key properties of methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane?
methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane has a molecular weight of 124.08 g/mol, XLogP of -0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane is sourced from PubChem (CID 152789619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).