2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde

C14H15NO4 — CID 112611123

IUPAC2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde
SMILESCOCc1cc(COc2c(C)cccc2C=O)no1
InChIInChI=1S/C14H15NO4/c1-10-4-3-5-11(7-16)14(10)18-8-12-6-13(9-17-2)19-15-12/h3-7H,8-9H2,1-2H3
InChIKeyIRSXNHSFHOXOCB-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.52
Rot. Bonds6

About 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde

2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde (PubChem CID 112611123) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde
PubChem CID112611123
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde
SMILESCOCc1cc(COc2c(C)cccc2C=O)no1
InChIInChI=1S/C14H15NO4/c1-10-4-3-5-11(7-16)14(10)18-8-12-6-13(9-17-2)19-15-12/h3-7H,8-9H2,1-2H3
InChIKeyIRSXNHSFHOXOCB-UHFFFAOYSA-N
XLogP2.52
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.52
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

2-chloro-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzaldehyde
CID 66156027
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid
CID 66156033
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine
CID 66188973
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-5-nitrobenzaldehyde
CID 66155835
3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
CID 112611517
[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 112608092
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzaldehyde
CID 112610948
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611134
3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 115955479
N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
CID 115953321
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
5-bromo-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde
CID 112620556

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde?
The IUPAC name of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde (CID 112611123) is 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde?
The canonical SMILES for 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde is COCc1cc(COc2c(C)cccc2C=O)no1.
What is the InChIKey of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde?
The InChIKey is IRSXNHSFHOXOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-10-4-3-5-11(7-16)14(10)18-8-12-6-13(9-17-2)19-15-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde?
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde has a molecular weight of 261.28 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 112611123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).