3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole

C20H26N2O3 — CID 97445821

IUPAC3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ccc(C2(c3nc([C@H]4CCOC4)no3)CCCC2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)24-17-7-5-16(6-8-17)20(10-3-4-11-20)19-21-18(22-25-19)15-9-12-23-13-15/h5-8,14-15H,3-4,9-13H2,1-2H3/t15-/m0/s1
InChIKeyQBKPZWAURUXRHF-HNNXBMFYSA-N
MW342.44 g/mol
LogP4.22
Rot. Bonds5

About 3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole

3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole (PubChem CID 97445821) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole
PubChem CID97445821
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ccc(C2(c3nc([C@H]4CCOC4)no3)CCCC2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)24-17-7-5-16(6-8-17)20(10-3-4-11-20)19-21-18(22-25-19)15-9-12-23-13-15/h5-8,14-15H,3-4,9-13H2,1-2H3/t15-/m0/s1
InChIKeyQBKPZWAURUXRHF-HNNXBMFYSA-N
XLogP4.22
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole (CID 97445821) is 3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole is CC(C)Oc1ccc(C2(c3nc([C@H]4CCOC4)no3)CCCC2)cc1.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole?
The InChIKey is QBKPZWAURUXRHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)24-17-7-5-16(6-8-17)20(10-3-4-11-20)19-21-18(22-25-19)15-9-12-23-13-15/h5-8,14-15H,3-4,9-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole?
3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole has a molecular weight of 342.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97445821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).