imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde

C5H3N3O2 — CID 92798739

IUPACimidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde
SMILESO=Cc1cnc2oncn12
InChIInChI=1S/C5H3N3O2/c9-2-4-1-6-5-8(4)3-7-10-5/h1-3H
InChIKeyDVPJWQJUPOWZRM-UHFFFAOYSA-N
MW137.10 g/mol
LogP0.13
Rot. Bonds1

About imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde

imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde (PubChem CID 92798739) has the molecular formula C5H3N3O2 and a molecular weight of 137.10 g/mol. Its IUPAC name is imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Nameimidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde
PubChem CID92798739
Molecular FormulaC5H3N3O2
Molecular Weight137.10 g/mol
Exact Mass137.02
IUPAC Nameimidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde
SMILESO=Cc1cnc2oncn12
InChIInChI=1S/C5H3N3O2/c9-2-4-1-6-5-8(4)3-7-10-5/h1-3H
InChIKeyDVPJWQJUPOWZRM-UHFFFAOYSA-N
XLogP0.13
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
CID 58449869
6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 167346079
8-bromo-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 166102499
7-(dimethylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 83877126
8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde
CID 84672327
6-cyclobutylimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 83916144
1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde
CID 83875633
3-aminoimidazole-4-carbaldehyde
CID 87279998
2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde
CID 125427339
1,4-dimethylpyrrolo[2,3-d]imidazole-5-carbaldehyde
CID 84651560
7-piperidin-1-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 83893652
6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde
CID 125449429

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde?
The IUPAC name of imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde (CID 92798739) is imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde.
What is the SMILES notation for imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde?
The canonical SMILES for imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde is O=Cc1cnc2oncn12.
What is the InChIKey of imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde?
The InChIKey is DVPJWQJUPOWZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2/c9-2-4-1-6-5-8(4)3-7-10-5/h1-3H.
What are the key properties of imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde?
imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde has a molecular weight of 137.10 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde is sourced from PubChem (CID 92798739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).