4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol

C15H14N4O2 — CID 136905901

IUPAC4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCCc1nnc(C)cc1-c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C15H14N4O2/c1-3-13-12(8-9(2)17-18-13)15-16-14(19-21-15)10-4-6-11(20)7-5-10/h4-8,20H,3H2,1-2H3
InChIKeyZMNNCPRGZOSFBV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.77
Rot. Bonds3

About 4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol

4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 136905901) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID136905901
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCCc1nnc(C)cc1-c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C15H14N4O2/c1-3-13-12(8-9(2)17-18-13)15-16-14(19-21-15)10-4-6-11(20)7-5-10/h4-8,20H,3H2,1-2H3
InChIKeyZMNNCPRGZOSFBV-UHFFFAOYSA-N
XLogP2.77
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104672245
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135977037
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104672077
4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136716235
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136673921
4-bromo-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885829
5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
CID 104670086
4-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904205
4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135966775

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 136905901) is 4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol is CCc1nnc(C)cc1-c1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of 4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is ZMNNCPRGZOSFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-3-13-12(8-9(2)17-18-13)15-16-14(19-21-15)10-4-6-11(20)7-5-10/h4-8,20H,3H2,1-2H3.
What are the key properties of 4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 282.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 136905901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).