4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde

C17H12ClNO3 — CID 29420744

IUPAC4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H12ClNO3/c18-14-5-3-13(4-6-14)16-9-19-17(22-16)11-21-15-7-1-12(10-20)2-8-15/h1-10H,11H2
InChIKeyRQVHXOIHRWHJOQ-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.39
Rot. Bonds5

About 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde

4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde (PubChem CID 29420744) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde
PubChem CID29420744
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H12ClNO3/c18-14-5-3-13(4-6-14)16-9-19-17(22-16)11-21-15-7-1-12(10-20)2-8-15/h1-10H,11H2
InChIKeyRQVHXOIHRWHJOQ-UHFFFAOYSA-N
XLogP4.39
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde (CID 29420744) is 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde is O=Cc1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde?
The InChIKey is RQVHXOIHRWHJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c18-14-5-3-13(4-6-14)16-9-19-17(22-16)11-21-15-7-1-12(10-20)2-8-15/h1-10H,11H2.
What are the key properties of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde?
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde has a molecular weight of 313.74 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 29420744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).