5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole

C17H19N5O2 — CID 134707242

IUPAC5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H]2CCCN2c2noc(-c3ccccc3)n2)n1
InChIInChI=1S/C17H19N5O2/c1-11(2)14-18-16(24-20-14)13-9-6-10-22(13)17-19-15(23-21-17)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyKRSOYQKBJUXFHE-ZDUSSCGKSA-N
MW325.37 g/mol
LogP3.58
Rot. Bonds4

About 5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole

5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole (PubChem CID 134707242) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
PubChem CID134707242
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H]2CCCN2c2noc(-c3ccccc3)n2)n1
InChIInChI=1S/C17H19N5O2/c1-11(2)14-18-16(24-20-14)13-9-6-10-22(13)17-19-15(23-21-17)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyKRSOYQKBJUXFHE-ZDUSSCGKSA-N
XLogP3.58
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 134700083
5-phenyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 133481705
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70787503
(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95221174
5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 134701097
3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
(3S,4R)-3-[(2S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352742
5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134706760
1,3-dimethyl-4-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 134699513
5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131900470
5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 133483568

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole (CID 134707242) is 5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole is CC(C)c1noc([C@@H]2CCCN2c2noc(-c3ccccc3)n2)n1.
What is the InChIKey of 5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is KRSOYQKBJUXFHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11(2)14-18-16(24-20-14)13-9-6-10-22(13)17-19-15(23-21-17)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 325.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 134707242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).