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

C19H12N2O3 — CID 169332653

IUPAC5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C19H12N2O3/c22-12-14-10-11-17(23-14)15-8-4-5-9-16(15)19-20-18(21-24-19)13-6-2-1-3-7-13/h1-12H
InChIKeyISZMMRGWQBJOBT-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.48
Rot. Bonds4

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

5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde (PubChem CID 169332653) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde
PubChem CID169332653
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2-c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C19H12N2O3/c22-12-14-10-11-17(23-14)15-8-4-5-9-16(15)19-20-18(21-24-19)13-6-2-1-3-7-13/h1-12H
InChIKeyISZMMRGWQBJOBT-UHFFFAOYSA-N
XLogP4.48
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.48
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-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 168525312
5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde
CID 169334656
5-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carbaldehyde
CID 169332774
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
CID 168516715
3-[5-(2-methyl-3-phenylphenyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 168864527
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 30333479
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 4898260
5-[2-(2-chlorophenyl)-1,3-benzoxazol-6-yl]furan-2-carbaldehyde
CID 169333831
8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid
CID 169335149
3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
CID 90656750

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde (CID 169332653) is 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccccc2-c2nc(-c3ccccc3)no2)o1.
What is the InChIKey of 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is ISZMMRGWQBJOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-12-14-10-11-17(23-14)15-8-4-5-9-16(15)19-20-18(21-24-19)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde?
5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 316.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).