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

C17H14N2O4 — CID 30029174

IUPAC3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
SMILESCOc1cccc(-c2noc(COc3cccc(C=O)c3)n2)c1
InChIInChI=1S/C17H14N2O4/c1-21-14-6-3-5-13(9-14)17-18-16(23-19-17)11-22-15-7-2-4-12(8-15)10-20/h2-10H,11H2,1H3
InChIKeyVESHTBVSAJBZHU-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.14
Rot. Bonds6

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

3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde (PubChem CID 30029174) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
PubChem CID30029174
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
SMILESCOc1cccc(-c2noc(COc3cccc(C=O)c3)n2)c1
InChIInChI=1S/C17H14N2O4/c1-21-14-6-3-5-13(9-14)17-18-16(23-19-17)11-22-15-7-2-4-12(8-15)10-20/h2-10H,11H2,1H3
InChIKeyVESHTBVSAJBZHU-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

1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
3-(3-methoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 6461904
4-[[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 97058054
N-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetamide
CID 17427274
3-[[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 97058040
5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 24670741
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 54959294
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
2,2-dimethyl-5-[[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599645
methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate
CID 55376476

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
The IUPAC name of 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde (CID 30029174) is 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde.
What is the SMILES notation for 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
The canonical SMILES for 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde is COc1cccc(-c2noc(COc3cccc(C=O)c3)n2)c1.
What is the InChIKey of 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
The InChIKey is VESHTBVSAJBZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-21-14-6-3-5-13(9-14)17-18-16(23-19-17)11-22-15-7-2-4-12(8-15)10-20/h2-10H,11H2,1H3.
What are the key properties of 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
3-[[3-(3-methoxyphenyl)-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 3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde is sourced from PubChem (CID 30029174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).