3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol

C19H22N2O4 — CID 143556630

IUPAC3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol
SMILESCCc1ccc(-c2nnc(-c3cccc(C=O)c3)o2)cc1.CO.CO
InChIInChI=1S/C17H14N2O2.2CH4O/c1-2-12-6-8-14(9-7-12)16-18-19-17(21-16)15-5-3-4-13(10-15)11-20;2*1-2/h3-11H,2H2,1H3;2*2H,1H3
InChIKeyZSGSHORBURYYSA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.00
Rot. Bonds4

About 3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol

3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol (PubChem CID 143556630) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol.

Molecular Properties

Compound Name3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol
PubChem CID143556630
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol
SMILESCCc1ccc(-c2nnc(-c3cccc(C=O)c3)o2)cc1.CO.CO
InChIInChI=1S/C17H14N2O2.2CH4O/c1-2-12-6-8-14(9-7-12)16-18-19-17(21-16)15-5-3-4-13(10-15)11-20;2*1-2/h3-11H,2H2,1H3;2*2H,1H3
InChIKeyZSGSHORBURYYSA-UHFFFAOYSA-N
XLogP3.00
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 21105734
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59935127
2-(3-ethenylphenyl)-5-[4-(3-ethenylphenyl)phenyl]-1,3,4-oxadiazole
CID 59307432
5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine
CID 18073044
3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane
CID 145064927
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline
CID 59228323
1-ethenyl-3-[4-(4-ethylphenyl)phenyl]benzene
CID 174010619
3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropanoic acid
CID 82132778
5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169335271
2-[3-(4-ethenylphenyl)phenyl]-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522269

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol?
The IUPAC name of 3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol (CID 143556630) is 3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol.
What is the SMILES notation for 3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol?
The canonical SMILES for 3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol is CCc1ccc(-c2nnc(-c3cccc(C=O)c3)o2)cc1.CO.CO.
What is the InChIKey of 3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol?
The InChIKey is ZSGSHORBURYYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.2CH4O/c1-2-12-6-8-14(9-7-12)16-18-19-17(21-16)15-5-3-4-13(10-15)11-20;2*1-2/h3-11H,2H2,1H3;2*2H,1H3.
What are the key properties of 3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol?
3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol has a molecular weight of 342.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol is sourced from PubChem (CID 143556630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).