1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde

C8H8N4O2 — CID 66215800

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde
SMILESCc1cc(Cn2cc(C=O)nn2)no1
InChIInChI=1S/C8H8N4O2/c1-6-2-7(10-14-6)3-12-4-8(5-13)9-11-12/h2,4-5H,3H2,1H3
InChIKeyJFLMMPURSUUJDT-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.44
Rot. Bonds3

About 1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde

1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde (PubChem CID 66215800) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde
PubChem CID66215800
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde
SMILESCc1cc(Cn2cc(C=O)nn2)no1
InChIInChI=1S/C8H8N4O2/c1-6-2-7(10-14-6)3-12-4-8(5-13)9-11-12/h2,4-5H,3H2,1H3
InChIKeyJFLMMPURSUUJDT-UHFFFAOYSA-N
XLogP0.44
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]triazole-4-carbaldehyde
CID 66214567
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193441
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227470
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carbaldehyde
CID 66214186
1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde
CID 66214365
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol
CID 146135452
1-(1,3-thiazol-5-ylmethyl)triazole-4-carbaldehyde
CID 112645380
1-[(5-bromofuran-2-yl)methyl]triazole-4-carbaldehyde
CID 66214361
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carbaldehyde
CID 66216585
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carbaldehyde
CID 66216210
1-(oxan-4-ylmethyl)triazole-4-carbaldehyde
CID 66215990
2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 81336473

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde (CID 66215800) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde is Cc1cc(Cn2cc(C=O)nn2)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde?
The InChIKey is JFLMMPURSUUJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-6-2-7(10-14-6)3-12-4-8(5-13)9-11-12/h2,4-5H,3H2,1H3.
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde has a molecular weight of 192.18 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carbaldehyde is sourced from PubChem (CID 66215800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).