5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde

C12H10ClNO4 — CID 104665448

IUPAC5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde
SMILESCOc1cc(Cl)cc(C=O)c1OCc1ccno1
InChIInChI=1S/C12H10ClNO4/c1-16-11-5-9(13)4-8(6-15)12(11)17-7-10-2-3-14-18-10/h2-6H,7H2,1H3
InChIKeyZOXGBCBOLPEXJQ-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.73
Rot. Bonds5

About 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde

5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde (PubChem CID 104665448) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde
PubChem CID104665448
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde
SMILESCOc1cc(Cl)cc(C=O)c1OCc1ccno1
InChIInChI=1S/C12H10ClNO4/c1-16-11-5-9(13)4-8(6-15)12(11)17-7-10-2-3-14-18-10/h2-6H,7H2,1H3
InChIKeyZOXGBCBOLPEXJQ-UHFFFAOYSA-N
XLogP2.73
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.73
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

5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid
CID 104665658
5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 113438752
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
3,5-dimethyl-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 28838332
5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde
CID 104665382
5-chloro-3-methoxy-2-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
CID 104665577
3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 107738404
5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde
CID 104665438
3-(4-chloro-2-formyl-6-methoxyphenoxy)-2,2-dimethylpropanoic acid
CID 113438784
4-(4-chloro-2-formyl-6-methoxyphenoxy)-N,N-dimethylbutanamide
CID 104665290
5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]-3-methoxybenzaldehyde
CID 104665518
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 113438774

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde?
The IUPAC name of 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde (CID 104665448) is 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde.
What is the SMILES notation for 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde?
The canonical SMILES for 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde is COc1cc(Cl)cc(C=O)c1OCc1ccno1.
What is the InChIKey of 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde?
The InChIKey is ZOXGBCBOLPEXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-16-11-5-9(13)4-8(6-15)12(11)17-7-10-2-3-14-18-10/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde?
5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde has a molecular weight of 267.67 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde is sourced from PubChem (CID 104665448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).