5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole

C14H16N2O — CID 162262506

IUPAC5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCC3CC3)n2)cc1
InChIInChI=1S/C14H16N2O/c1-10-2-7-12(8-3-10)14-15-13(17-16-14)9-6-11-4-5-11/h2-3,7-8,11H,4-6,9H2,1H3
InChIKeyZZLCJRKUROEINP-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.39
Rot. Bonds4

About 5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole

5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 162262506) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID162262506
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCC3CC3)n2)cc1
InChIInChI=1S/C14H16N2O/c1-10-2-7-12(8-3-10)14-15-13(17-16-14)9-6-11-4-5-11/h2-3,7-8,11H,4-6,9H2,1H3
InChIKeyZZLCJRKUROEINP-UHFFFAOYSA-N
XLogP3.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 66989058
1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine
CID 68959928
3-(4-ethylphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216212
5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
CID 131086308
3-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-5-propyl-1,2,4-oxadiazole
CID 101044576
5-butyl-3-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 3304464
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
CID 2951433
5-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 11859836
3-(3-bromo-4-methylphenyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 104880995
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370851

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 162262506) is 5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CCC3CC3)n2)cc1.
What is the InChIKey of 5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is ZZLCJRKUROEINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-2-7-12(8-3-10)14-15-13(17-16-14)9-6-11-4-5-11/h2-3,7-8,11H,4-6,9H2,1H3.
What are the key properties of 5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 228.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 162262506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).