2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde

C13H13NO4 — CID 10944748

IUPAC2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde
SMILESCOc1ccc(COCc2nc(C=O)co2)cc1
InChIInChI=1S/C13H13NO4/c1-16-12-4-2-10(3-5-12)7-17-9-13-14-11(6-15)8-18-13/h2-6,8H,7,9H2,1H3
InChIKeyOWGOTBMSGNHERR-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.21
Rot. Bonds6

About 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde

2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde (PubChem CID 10944748) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde
PubChem CID10944748
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde
SMILESCOc1ccc(COCc2nc(C=O)co2)cc1
InChIInChI=1S/C13H13NO4/c1-16-12-4-2-10(3-5-12)7-17-9-13-14-11(6-15)8-18-13/h2-6,8H,7,9H2,1H3
InChIKeyOWGOTBMSGNHERR-UHFFFAOYSA-N
XLogP2.21
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-methylhexyl]-1,3-oxazole-4-carbaldehyde
CID 71490748
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160
2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 53407351
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
(E)-4-[(4-methoxyphenyl)methoxy]-3-methylbut-2-enal
CID 101450016
(4-methoxyphenyl)methyl hypobromite
CID 166766888
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992
(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxirane-2-carbaldehyde
CID 57060202
1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene
CID 143732018
cis-(1S,2R)-2-[(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carbaldehyde
CID 102072898
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde (CID 10944748) is 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde is COc1ccc(COCc2nc(C=O)co2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde?
The InChIKey is OWGOTBMSGNHERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-16-12-4-2-10(3-5-12)7-17-9-13-14-11(6-15)8-18-13/h2-6,8H,7,9H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde?
2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde has a molecular weight of 247.25 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 10944748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).