5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C21H20N6O — CID 50963117

IUPAC5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2[nH]ncc2CN2CCCC2c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C21H20N6O/c1-2-5-15(6-3-1)19-17(13-23-25-19)14-27-12-4-7-18(27)21-24-20(26-28-21)16-8-10-22-11-9-16/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,23,25)
InChIKeyKVWOKOPYOIQISM-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.86
Rot. Bonds5

About 5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 50963117) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID50963117
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2[nH]ncc2CN2CCCC2c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C21H20N6O/c1-2-5-15(6-3-1)19-17(13-23-25-19)14-27-12-4-7-18(27)21-24-20(26-28-21)16-8-10-22-11-9-16/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,23,25)
InChIKeyKVWOKOPYOIQISM-UHFFFAOYSA-N
XLogP3.86
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
3-methyl-5-[(2S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95997491
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191879
5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95188083
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
5-[(2S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 77086922
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932
4-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyridine
CID 91653959
5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 95722957

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 50963117) is 5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is c1ccc(-c2[nH]ncc2CN2CCCC2c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is KVWOKOPYOIQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-2-5-15(6-3-1)19-17(13-23-25-19)14-27-12-4-7-18(27)21-24-20(26-28-21)16-8-10-22-11-9-16/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,23,25).
What are the key properties of 5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 372.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 50963117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).