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

C13H11Cl2NO3 — CID 43516003

IUPAC3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
SMILESCc1noc(C)c1COc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C13H11Cl2NO3/c1-7-11(8(2)19-16-7)6-18-13-9(5-17)3-10(14)4-12(13)15/h3-5H,6H2,1-2H3
InChIKeyJEHVDUBVNGSCBY-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.99
Rot. Bonds4

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

3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde (PubChem CID 43516003) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
PubChem CID43516003
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
SMILESCc1noc(C)c1COc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C13H11Cl2NO3/c1-7-11(8(2)19-16-7)6-18-13-9(5-17)3-10(14)4-12(13)15/h3-5H,6H2,1-2H3
InChIKeyJEHVDUBVNGSCBY-UHFFFAOYSA-N
XLogP3.99
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 43516207
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde
CID 28825712
3,5-dichloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771268
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethoxybenzaldehyde
CID 43516639
tert-butyl 2-(2,4-dichloro-6-formylphenoxy)acetate
CID 18353685
2-[(4-tert-butylphenyl)methoxy]-3,5-dichlorobenzaldehyde
CID 129323176
3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
CID 55025741
3,5-dichloro-2-(3-methylbutoxy)benzaldehyde
CID 43515922
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
3,5-dichloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153254
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 4781182
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde (CID 43516003) is 3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde is Cc1noc(C)c1COc1c(Cl)cc(Cl)cc1C=O.
What is the InChIKey of 3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde?
The InChIKey is JEHVDUBVNGSCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-7-11(8(2)19-16-7)6-18-13-9(5-17)3-10(14)4-12(13)15/h3-5H,6H2,1-2H3.
What are the key properties of 3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde?
3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde has a molecular weight of 300.14 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 43516003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).