5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole

C18H16N2O2 — CID 139000879

IUPAC5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
SMILESCC1CC1c1nc(-c2cccc(Oc3ccccc3)c2)no1
InChIInChI=1S/C18H16N2O2/c1-12-10-16(12)18-19-17(20-22-18)13-6-5-9-15(11-13)21-14-7-3-2-4-8-14/h2-9,11-12,16H,10H2,1H3
InChIKeyHLWJEVTWMLKJGV-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.65
Rot. Bonds4

About 5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole

5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole (PubChem CID 139000879) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
PubChem CID139000879
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
SMILESCC1CC1c1nc(-c2cccc(Oc3ccccc3)c2)no1
InChIInChI=1S/C18H16N2O2/c1-12-10-16(12)18-19-17(20-22-18)13-6-5-9-15(11-13)21-14-7-3-2-4-8-14/h2-9,11-12,16H,10H2,1H3
InChIKeyHLWJEVTWMLKJGV-UHFFFAOYSA-N
XLogP4.65
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525244
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 97064055
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
3-(3-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424834
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide
CID 167750655
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
2-[[4,6-bis(3-phenoxyphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(3-phenoxyphenyl)-1,3,5-triazine
CID 58299083
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63348630
5-(5-bromo-4-methyl-3-pyridinyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
CID 138008063

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole (CID 139000879) is 5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole is CC1CC1c1nc(-c2cccc(Oc3ccccc3)c2)no1.
What is the InChIKey of 5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is HLWJEVTWMLKJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-10-16(12)18-19-17(20-22-18)13-6-5-9-15(11-13)21-14-7-3-2-4-8-14/h2-9,11-12,16H,10H2,1H3.
What are the key properties of 5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole?
5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 292.34 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 139000879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).