3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde

C10H8N2O3 — CID 63773034

IUPAC3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
SMILESCOc1ccccc1-c1noc(C=O)n1
InChIInChI=1S/C10H8N2O3/c1-14-8-5-3-2-4-7(8)10-11-9(6-13)15-12-10/h2-6H,1H3
InChIKeyXDPJROVEYHSRDI-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.56
Rot. Bonds3

About 3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde

3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 63773034) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID63773034
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
SMILESCOc1ccccc1-c1noc(C=O)n1
InChIInChI=1S/C10H8N2O3/c1-14-8-5-3-2-4-7(8)10-11-9(6-13)15-12-10/h2-6H,1H3
InChIKeyXDPJROVEYHSRDI-UHFFFAOYSA-N
XLogP1.56
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.56
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

5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
5-[(Z)-1-chloro-2-phenylethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9036804
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
3-(2-methoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527966
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82127138
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811619
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346270

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of 3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde (CID 63773034) is 3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for 3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for 3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde is COc1ccccc1-c1noc(C=O)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is XDPJROVEYHSRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-14-8-5-3-2-4-7(8)10-11-9(6-13)15-12-10/h2-6H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde?
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 204.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 63773034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).