5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde

C19H13N3O3 — CID 169332774

IUPAC5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2Cc2nc(-c3cccnc3)no2)o1
InChIInChI=1S/C19H13N3O3/c23-12-15-7-8-17(24-15)16-6-2-1-4-13(16)10-18-21-19(22-25-18)14-5-3-9-20-11-14/h1-9,11-12H,10H2
InChIKeyIKYKIIXJVZKMMD-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.79
Rot. Bonds5

About 5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde

5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde (PubChem CID 169332774) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde
PubChem CID169332774
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2Cc2nc(-c3cccnc3)no2)o1
InChIInChI=1S/C19H13N3O3/c23-12-15-7-8-17(24-15)16-6-2-1-4-13(16)10-18-21-19(22-25-18)14-5-3-9-20-11-14/h1-9,11-12H,10H2
InChIKeyIKYKIIXJVZKMMD-UHFFFAOYSA-N
XLogP3.79
TPSA82.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562689
4-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562701
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide
CID 90562611
1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800527
1-(3,5-dimethylphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562669
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
CID 71800507
1-(2-ethoxyphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562672
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 55203346

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde (CID 169332774) is 5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccccc2Cc2nc(-c3cccnc3)no2)o1.
What is the InChIKey of 5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde?
The InChIKey is IKYKIIXJVZKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-12-15-7-8-17(24-15)16-6-2-1-4-13(16)10-18-21-19(22-25-18)14-5-3-9-20-11-14/h1-9,11-12H,10H2.
What are the key properties of 5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde?
5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde has a molecular weight of 331.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).