4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde

C20H19NO6 — CID 12967874

IUPAC4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde
SMILESCOc1ccc(-c2cc(COc3ccc(C=O)cc3OC)on2)cc1OC
InChIInChI=1S/C20H19NO6/c1-23-17-7-5-14(9-20(17)25-3)16-10-15(27-21-16)12-26-18-6-4-13(11-22)8-19(18)24-2/h4-11H,12H2,1-3H3
InChIKeyMUPHBTUTKHOPDS-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.76
Rot. Bonds8

About 4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde

4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde (PubChem CID 12967874) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is 4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde
PubChem CID12967874
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde
SMILESCOc1ccc(-c2cc(COc3ccc(C=O)cc3OC)on2)cc1OC
InChIInChI=1S/C20H19NO6/c1-23-17-7-5-14(9-20(17)25-3)16-10-15(27-21-16)12-26-18-6-4-13(11-22)8-19(18)24-2/h4-11H,12H2,1-3H3
InChIKeyMUPHBTUTKHOPDS-UHFFFAOYSA-N
XLogP3.76
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde
CID 28782536
5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid
CID 1266840
3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
CID 38833285
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butanal
CID 22727348
ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
CID 1154159
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde (CID 12967874) is 4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde is COc1ccc(-c2cc(COc3ccc(C=O)cc3OC)on2)cc1OC.
What is the InChIKey of 4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde?
The InChIKey is MUPHBTUTKHOPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-23-17-7-5-14(9-20(17)25-3)16-10-15(27-21-16)12-26-18-6-4-13(11-22)8-19(18)24-2/h4-11H,12H2,1-3H3.
What are the key properties of 4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde?
4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde has a molecular weight of 369.37 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 12967874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).