5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole

C16H20N2O2 — CID 128995217

IUPAC5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESCC1CCOC1c1nc(CCCc2ccccc2)no1
InChIInChI=1S/C16H20N2O2/c1-12-10-11-19-15(12)16-17-14(18-20-16)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3
InChIKeyYTVJJXDGHOMBPO-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.34
Rot. Bonds5

About 5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole

5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole (PubChem CID 128995217) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole
PubChem CID128995217
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESCC1CCOC1c1nc(CCCc2ccccc2)no1
InChIInChI=1S/C16H20N2O2/c1-12-10-11-19-15(12)16-17-14(18-20-16)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3
InChIKeyYTVJJXDGHOMBPO-UHFFFAOYSA-N
XLogP3.34
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(cyclobutylmethyl)pyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 166545258
[2-[(3R)-3-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]spiro[3.3]heptan-6-yl]-[(3R)-3-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 177345071
[2-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]spiro[3.3]heptan-6-yl]-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 177345027
1-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 166545183
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120834209
[4-[(6S)-6-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-5-azaspiro[2.4]heptane-5-carbonyl]cyclohexyl]-[(6S)-6-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-5-azaspiro[2.4]heptan-5-yl]methanone
CID 177345064
3-tert-butyl-5-[(2S,3S)-3-methyloxolan-2-yl]-1,2,4-oxadiazole
CID 129381279
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 63349231
5-[4-(cyclobutylmethyl)-1-methylsulfonylpyrrolidin-2-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 166545147
1-[(2R,4S)-4-hydroxy-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 128994638
3-[(4-methoxyphenyl)methyl]-5-[(2S,3S)-3-phenyloxolan-2-yl]-1,2,4-oxadiazole
CID 128994621
(3R,5S)-1-benzylsulfonyl-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 166545158

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole (CID 128995217) is 5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole is CC1CCOC1c1nc(CCCc2ccccc2)no1.
What is the InChIKey of 5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole?
The InChIKey is YTVJJXDGHOMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-10-11-19-15(12)16-17-14(18-20-16)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3.
What are the key properties of 5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole?
5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyloxolan-2-yl)-3-(3-phenylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 128995217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).