3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole

C16H19N3O2 — CID 97455442

IUPAC3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESc1cc(N2CCCC2)ccc1-c1nc([C@H]2CCOC2)no1
InChIInChI=1S/C16H19N3O2/c1-2-9-19(8-1)14-5-3-12(4-6-14)16-17-15(18-21-16)13-7-10-20-11-13/h3-6,13H,1-2,7-11H2/t13-/m0/s1
InChIKeyYKJJAVRLQSGBJE-ZDUSSCGKSA-N
MW285.35 g/mol
LogP2.84
Rot. Bonds3

About 3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole

3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 97455442) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID97455442
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESc1cc(N2CCCC2)ccc1-c1nc([C@H]2CCOC2)no1
InChIInChI=1S/C16H19N3O2/c1-2-9-19(8-1)14-5-3-12(4-6-14)16-17-15(18-21-16)13-7-10-20-11-13/h3-6,13H,1-2,7-11H2/t13-/m0/s1
InChIKeyYKJJAVRLQSGBJE-ZDUSSCGKSA-N
XLogP2.84
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437627
4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine
CID 97435460
5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72925037
5-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97454586
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65329882
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455316
5-(2-methyl-1,3-benzothiazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97444499

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole (CID 97455442) is 3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole is c1cc(N2CCCC2)ccc1-c1nc([C@H]2CCOC2)no1.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is YKJJAVRLQSGBJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-9-19(8-1)14-5-3-12(4-6-14)16-17-15(18-21-16)13-7-10-20-11-13/h3-6,13H,1-2,7-11H2/t13-/m0/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?
3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 285.35 g/mol, XLogP of 2.84, 3 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-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 97455442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).