ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole

C13H18N2O2 — CID 143067916

IUPACethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCC.CCc1noc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C11H12N2O2.C2H6/c1-3-10-12-11(15-13-10)8-4-6-9(14-2)7-5-8;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyKLTMFOXCZCJJAL-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.33
Rot. Bonds3

About ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole

ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 143067916) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Nameethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID143067916
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCC.CCc1noc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C11H12N2O2.C2H6/c1-3-10-12-11(15-13-10)8-4-6-9(14-2)7-5-8;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyKLTMFOXCZCJJAL-UHFFFAOYSA-N
XLogP3.33
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62646611
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61375130
3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 10352930
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-ethylbutanoate
CID 60562016
3-[(4-ethoxyphenyl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 55553266
3-[(3,5-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878775
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 134001018
N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide
CID 134001035

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 143067916) is ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole is CC.CCc1noc(-c2ccc(OC)cc2)n1.
What is the InChIKey of ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is KLTMFOXCZCJJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C2H6/c1-3-10-12-11(15-13-10)8-4-6-9(14-2)7-5-8;1-2/h4-7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 234.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 143067916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).