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

C14H16N2O4 — CID 61497487

IUPAC4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
SMILESCOc1ccc(C=O)c(OCc2noc(C(C)C)n2)c1
InChIInChI=1S/C14H16N2O4/c1-9(2)14-15-13(16-20-14)8-19-12-6-11(18-3)5-4-10(12)7-17/h4-7,9H,8H2,1-3H3
InChIKeyIWBZANDVONMAPE-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.59
Rot. Bonds6

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

4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde (PubChem CID 61497487) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
PubChem CID61497487
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
SMILESCOc1ccc(C=O)c(OCc2noc(C(C)C)n2)c1
InChIInChI=1S/C14H16N2O4/c1-9(2)14-15-13(16-20-14)8-19-12-6-11(18-3)5-4-10(12)7-17/h4-7,9H,8H2,1-3H3
InChIKeyIWBZANDVONMAPE-UHFFFAOYSA-N
XLogP2.59
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.59
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-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 61497406
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]naphthalen-2-ol
CID 61497370
[4-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61496889
1-[3-methoxy-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497402
3-[(3,5-dimethylphenoxy)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 63362112
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153443
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
(1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001564
7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 75470429
1-[2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497359

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
The IUPAC name of 4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde (CID 61497487) is 4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde.
What is the SMILES notation for 4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
The canonical SMILES for 4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde is COc1ccc(C=O)c(OCc2noc(C(C)C)n2)c1.
What is the InChIKey of 4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
The InChIKey is IWBZANDVONMAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(2)14-15-13(16-20-14)8-19-12-6-11(18-3)5-4-10(12)7-17/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde?
4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde has a molecular weight of 276.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde is sourced from PubChem (CID 61497487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).