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

C20H14N2O3 — CID 169335271

IUPAC5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde
SMILESCc1ccc(-c2nnc(-c3cccc(-c4ccc(C=O)o4)c3)o2)cc1
InChIInChI=1S/C20H14N2O3/c1-13-5-7-14(8-6-13)19-21-22-20(25-19)16-4-2-3-15(11-16)18-10-9-17(12-23)24-18/h2-12H,1H3
InChIKeySKAKQPRVJHCERG-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.78
Rot. Bonds4

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

5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde (PubChem CID 169335271) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde
PubChem CID169335271
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde
SMILESCc1ccc(-c2nnc(-c3cccc(-c4ccc(C=O)o4)c3)o2)cc1
InChIInChI=1S/C20H14N2O3/c1-13-5-7-14(8-6-13)19-21-22-20(25-19)16-4-2-3-15(11-16)18-10-9-17(12-23)24-18/h2-12H,1H3
InChIKeySKAKQPRVJHCERG-UHFFFAOYSA-N
XLogP4.78
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.78
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-[3-(4-methylsulfanylphenyl)phenyl]furan-2-carbaldehyde
CID 169332998
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde
CID 169334844
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
5-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]furan-2-carbaldehyde
CID 169332740
5-[3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169334846
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-[3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169334414
5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde
CID 169332508
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 169334559
2-(3-methylphenyl)-5-[4-[tris[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 153436703

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde (CID 169335271) is 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde is Cc1ccc(-c2nnc(-c3cccc(-c4ccc(C=O)o4)c3)o2)cc1.
What is the InChIKey of 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde?
The InChIKey is SKAKQPRVJHCERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-13-5-7-14(8-6-13)19-21-22-20(25-19)16-4-2-3-15(11-16)18-10-9-17(12-23)24-18/h2-12H,1H3.
What are the key properties of 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde?
5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde has a molecular weight of 330.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169335271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).