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

Name: Methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₄H₅AlN₂O — CID 152789619

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane
PubChem CID	152789619
Molecular Formula	C₄H₅AlN₂O
Molecular Weight	124.08 g/mol
Exact Mass	124.02
IUPAC Name	methylidene-(5-methyl-1,2,4-oxadiazol-3-yl)alumane
SMILES	C=[Al]c1noc(C)n1
InChI	InChI=1S/C3H3N2O.CH2.Al/c1-3-4-2-5-6-3;;/h1H3;1H2;
InChIKey	SEDJAKRCFSXIKF-UHFFFAOYSA-N
XLogP	-0.86
TPSA	38.92 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	8
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	124.08
LogP ≤ 5	-0.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 152789619 — identifiers, structure, computed properties (public domain)

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