3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde

C13H13ClN2O4 — CID 28897739

IUPAC3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde
SMILESCCc1nnc(COc2c(Cl)cc(C=O)cc2OC)o1
InChIInChI=1S/C13H13ClN2O4/c1-3-11-15-16-12(20-11)7-19-13-9(14)4-8(6-17)5-10(13)18-2/h4-6H,3,7H2,1-2H3
InChIKeyHVXMVUNZARLFEI-UHFFFAOYSA-N
MW296.71 g/mol
LogP2.69
Rot. Bonds6

About 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde

3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde (PubChem CID 28897739) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde
PubChem CID28897739
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde
SMILESCCc1nnc(COc2c(Cl)cc(C=O)cc2OC)o1
InChIInChI=1S/C13H13ClN2O4/c1-3-11-15-16-12(20-11)7-19-13-9(14)4-8(6-17)5-10(13)18-2/h4-6H,3,7H2,1-2H3
InChIKeyHVXMVUNZARLFEI-UHFFFAOYSA-N
XLogP2.69
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde 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

3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde
CID 167716711
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646171
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
4-[(E)-but-2-enoxy]-3-chloro-5-methoxybenzaldehyde
CID 43114907
3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922279
3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 61487588
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 882398
3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde
CID 2227802

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde?
The IUPAC name of 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde (CID 28897739) is 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde.
What is the SMILES notation for 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde?
The canonical SMILES for 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde is CCc1nnc(COc2c(Cl)cc(C=O)cc2OC)o1.
What is the InChIKey of 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde?
The InChIKey is HVXMVUNZARLFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c1-3-11-15-16-12(20-11)7-19-13-9(14)4-8(6-17)5-10(13)18-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde?
3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde has a molecular weight of 296.71 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde is sourced from PubChem (CID 28897739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).