3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane

C22H25N5O3 — CID 145064927

IUPAC3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane
SMILESCCC.CCc1nc(-c2cccc(C=O)c2)no1.Cc1nnc(-c2ccncc2)o1
InChIInChI=1S/C11H10N2O2.C8H7N3O.C3H8/c1-2-10-12-11(13-15-10)9-5-3-4-8(6-9)7-14;1-6-10-11-8(12-6)7-2-4-9-5-3-7;1-3-2/h3-7H,2H2,1H3;2-5H,1H3;3H2,1-2H3
InChIKeyMYVOOYBHEWOTEW-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.97
Rot. Bonds4

About 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane

3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane (PubChem CID 145064927) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane.

Molecular Properties

Compound Name3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane
PubChem CID145064927
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane
SMILESCCC.CCc1nc(-c2cccc(C=O)c2)no1.Cc1nnc(-c2ccncc2)o1
InChIInChI=1S/C11H10N2O2.C8H7N3O.C3H8/c1-2-10-12-11(13-15-10)9-5-3-4-8(6-9)7-14;1-6-10-11-8(12-6)7-2-4-9-5-3-7;1-3-2/h3-7H,2H2,1H3;2-5H,1H3;3H2,1-2H3
InChIKeyMYVOOYBHEWOTEW-UHFFFAOYSA-N
XLogP4.97
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
CID 7060547
3-[5-(1-hydroxypropyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 123374561
3-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]benzaldehyde;methanol
CID 143556630
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 158020415
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-[5-(2-methyl-3-phenylphenyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 168864527
S-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl] carbamothioate;hydrobromide
CID 89351154
2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153707
3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029174
3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 21105734
2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153547
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]benzaldehyde
CID 66356189

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane?
The IUPAC name of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane (CID 145064927) is 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane.
What is the SMILES notation for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane?
The canonical SMILES for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane is CCC.CCc1nc(-c2cccc(C=O)c2)no1.Cc1nnc(-c2ccncc2)o1.
What is the InChIKey of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane?
The InChIKey is MYVOOYBHEWOTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.C8H7N3O.C3H8/c1-2-10-12-11(13-15-10)9-5-3-4-8(6-9)7-14;1-6-10-11-8(12-6)7-2-4-9-5-3-7;1-3-2/h3-7H,2H2,1H3;2-5H,1H3;3H2,1-2H3.
What are the key properties of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane?
3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane has a molecular weight of 407.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzaldehyde;2-methyl-5-pyridin-4-yl-1,3,4-oxadiazole;propane is sourced from PubChem (CID 145064927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).