2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde

C15H17NO4 — CID 43388442

IUPAC2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCc2cc(C)no2)c1
InChIInChI=1S/C15H17NO4/c1-3-6-18-13-5-4-12(9-17)15(8-13)19-10-14-7-11(2)16-20-14/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyUNAYUPREZXDQRR-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.16
Rot. Bonds7

About 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde

2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde (PubChem CID 43388442) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde
PubChem CID43388442
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCc2cc(C)no2)c1
InChIInChI=1S/C15H17NO4/c1-3-6-18-13-5-4-12(9-17)15(8-13)19-10-14-7-11(2)16-20-14/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyUNAYUPREZXDQRR-UHFFFAOYSA-N
XLogP3.16
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde 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-[(5-methyl-1,2-oxazol-3-yl)methoxy]-4-propoxybenzaldehyde
CID 43388404
2-(1,2,4-oxadiazol-3-ylmethoxy)-4-propoxybenzaldehyde
CID 43388449
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
2-[(5-bromo-3-pyridinyl)methoxy]-4-propoxybenzaldehyde
CID 115580502
2-[(1-methylpyrazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 43415503
2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 66141723
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde
CID 43388336
2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 66154912
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde?
The IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde (CID 43388442) is 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde.
What is the SMILES notation for 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde?
The canonical SMILES for 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCc2cc(C)no2)c1.
What is the InChIKey of 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde?
The InChIKey is UNAYUPREZXDQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-6-18-13-5-4-12(9-17)15(8-13)19-10-14-7-11(2)16-20-14/h4-5,7-9H,3,6,10H2,1-2H3.
What are the key properties of 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde?
2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde has a molecular weight of 275.30 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde is sourced from PubChem (CID 43388442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).