3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole

C17H20N2O2 — CID 72911854

IUPAC3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
SMILESc1ccc(C2(c3nc(C4CCOC4)no3)CCCC2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-6-14(7-3-1)17(9-4-5-10-17)16-18-15(19-21-16)13-8-11-20-12-13/h1-3,6-7,13H,4-5,8-12H2
InChIKeyYMLMNNCBEPONQQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.43
Rot. Bonds3

About 3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole (PubChem CID 72911854) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
PubChem CID72911854
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
SMILESc1ccc(C2(c3nc(C4CCOC4)no3)CCCC2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-6-14(7-3-1)17(9-4-5-10-17)16-18-15(19-21-16)13-8-11-20-12-13/h1-3,6-7,13H,4-5,8-12H2
InChIKeyYMLMNNCBEPONQQ-UHFFFAOYSA-N
XLogP3.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077225
5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077853
5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72912928
3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 154783131
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330606
5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole
CID 56804175
1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65332435
1-cyclopropyl-4-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 119039364
4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65330157
3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71971345
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97438471

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole (CID 72911854) is 3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole is c1ccc(C2(c3nc(C4CCOC4)no3)CCCC2)cc1.
What is the InChIKey of 3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole?
The InChIKey is YMLMNNCBEPONQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-6-14(7-3-1)17(9-4-5-10-17)16-18-15(19-21-16)13-8-11-20-12-13/h1-3,6-7,13H,4-5,8-12H2.
What are the key properties of 3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole has a molecular weight of 284.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 72911854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).