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

C15H18N4O2 — CID 134127275

IUPAC3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole
SMILESc1ccc(C2CC(c3nc(C4CCOC4)no3)NN2)cc1
InChIInChI=1S/C15H18N4O2/c1-2-4-10(5-3-1)12-8-13(18-17-12)15-16-14(19-21-15)11-6-7-20-9-11/h1-5,11-13,17-18H,6-9H2
InChIKeyDZSKCONHACMSBL-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.85
Rot. Bonds3

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

3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 134127275) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole
PubChem CID134127275
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole
SMILESc1ccc(C2CC(c3nc(C4CCOC4)no3)NN2)cc1
InChIInChI=1S/C15H18N4O2/c1-2-4-10(5-3-1)12-8-13(18-17-12)15-16-14(19-21-15)11-6-7-20-9-11/h1-5,11-13,17-18H,6-9H2
InChIKeyDZSKCONHACMSBL-UHFFFAOYSA-N
XLogP1.85
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 65330720
3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71971345
(3R)-3-phenyloxolane
CID 92859476
5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015557
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240495
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97330359
3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
CID 72911854
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole (CID 134127275) is 3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole is c1ccc(C2CC(c3nc(C4CCOC4)no3)NN2)cc1.
What is the InChIKey of 3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is DZSKCONHACMSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-4-10(5-3-1)12-8-13(18-17-12)15-16-14(19-21-15)11-6-7-20-9-11/h1-5,11-13,17-18H,6-9H2.
What are the key properties of 3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 286.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 134127275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).