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

C14H15NO4 — CID 2474265

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1c(C)noc1C
InChIInChI=1S/C14H15NO4/c1-9-12(10(2)19-15-9)8-18-13-5-4-11(7-16)6-14(13)17-3/h4-7H,8H2,1-3H3
InChIKeyKRSBKCIZARFCOA-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.69
Rot. Bonds5

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde (PubChem CID 2474265) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde
PubChem CID2474265
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1c(C)noc1C
InChIInChI=1S/C14H15NO4/c1-9-12(10(2)19-15-9)8-18-13-5-4-11(7-16)6-14(13)17-3/h4-7H,8H2,1-3H3
InChIKeyKRSBKCIZARFCOA-UHFFFAOYSA-N
XLogP2.69
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.69
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

Cyanomethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2085889
4-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 706052
1-Cyanoethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 5030119
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660675
2,1-Benzisoxazol-4(5H)-one, 3-[(3,4-diethoxyphenyl)methyl]-6,7-dihydro-
CID 1510496
3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 704150
[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2128689
[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2442775
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate
CID 2433828
[2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4790410
Ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 705269
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
CID 704120

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde (CID 2474265) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde?
The InChIKey is KRSBKCIZARFCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-12(10(2)19-15-9)8-18-13-5-4-11(7-16)6-14(13)17-3/h4-7H,8H2,1-3H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde has a molecular weight of 261.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 2474265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).