5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde

C17H14N2O4 — CID 24670741

IUPAC5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCOc1ccc(OCc2nc(-c3ccccc3)no2)c(C=O)c1
InChIInChI=1S/C17H14N2O4/c1-21-14-7-8-15(13(9-14)10-20)22-11-16-18-17(19-23-16)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyOAPMRWLMUNXEPL-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.14
Rot. Bonds6

About 5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde

5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (PubChem CID 24670741) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
PubChem CID24670741
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCOc1ccc(OCc2nc(-c3ccccc3)no2)c(C=O)c1
InChIInChI=1S/C17H14N2O4/c1-21-14-7-8-15(13(9-14)10-20)22-11-16-18-17(19-23-16)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyOAPMRWLMUNXEPL-UHFFFAOYSA-N
XLogP3.14
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.14
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

5-bromo-2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595328
2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029122
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 67718067
3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029174
5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595326
N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9354278
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
CID 91991140

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The IUPAC name of 5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (CID 24670741) is 5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.
What is the SMILES notation for 5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The canonical SMILES for 5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is COc1ccc(OCc2nc(-c3ccccc3)no2)c(C=O)c1.
What is the InChIKey of 5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The InChIKey is OAPMRWLMUNXEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-21-14-7-8-15(13(9-14)10-20)22-11-16-18-17(19-23-16)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde has a molecular weight of 310.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is sourced from PubChem (CID 24670741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).