2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde

C13H13ClN2O3 — CID 61495181

IUPAC2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCCCc1noc(COc2cccc(Cl)c2C=O)n1
InChIInChI=1S/C13H13ClN2O3/c1-2-4-12-15-13(19-16-12)8-18-11-6-3-5-10(14)9(11)7-17/h3,5-7H,2,4,8H2,1H3
InChIKeyIHLSXWUGQVXOOV-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.07
Rot. Bonds6

About 2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde

2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (PubChem CID 61495181) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
PubChem CID61495181
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCCCc1noc(COc2cccc(Cl)c2C=O)n1
InChIInChI=1S/C13H13ClN2O3/c1-2-4-12-15-13(19-16-12)8-18-11-6-3-5-10(14)9(11)7-17/h3,5-7H,2,4,8H2,1H3
InChIKeyIHLSXWUGQVXOOV-UHFFFAOYSA-N
XLogP3.07
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.07
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

1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 114321952
5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 54919221
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 60721889
3,5-dibromo-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 107738411
5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carbaldehyde
CID 79794232
2-chloro-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzaldehyde
CID 66156027
2-chloro-6-heptoxybenzaldehyde
CID 45282902
5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 134038171
2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzaldehyde
CID 60792234
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 61320368

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The IUPAC name of 2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (CID 61495181) is 2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The canonical SMILES for 2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is CCCc1noc(COc2cccc(Cl)c2C=O)n1.
What is the InChIKey of 2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The InChIKey is IHLSXWUGQVXOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-2-4-12-15-13(19-16-12)8-18-11-6-3-5-10(14)9(11)7-17/h3,5-7H,2,4,8H2,1H3.
What are the key properties of 2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde has a molecular weight of 280.71 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is sourced from PubChem (CID 61495181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).