3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

C17H17N5O — CID 97319680

IUPAC3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCC[C@H]2c2ccccn2)n1
InChIInChI=1S/C17H17N5O/c1-12-20-17(23-21-12)13-6-4-10-19-16(13)22-11-5-8-15(22)14-7-2-3-9-18-14/h2-4,6-7,9-10,15H,5,8,11H2,1H3/t15-/m0/s1
InChIKeyQHVBSLBAPGMQHI-HNNXBMFYSA-N
MW307.36 g/mol
LogP3.18
Rot. Bonds3

About 3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 97319680) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID97319680
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCC[C@H]2c2ccccn2)n1
InChIInChI=1S/C17H17N5O/c1-12-20-17(23-21-12)13-6-4-10-19-16(13)22-11-5-8-15(22)14-7-2-3-9-18-14/h2-4,6-7,9-10,15H,5,8,11H2,1H3/t15-/m0/s1
InChIKeyQHVBSLBAPGMQHI-HNNXBMFYSA-N
XLogP3.18
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 97319680) is 3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2cccnc2N2CCC[C@H]2c2ccccn2)n1.
What is the InChIKey of 3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is QHVBSLBAPGMQHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-20-17(23-21-12)13-6-4-10-19-16(13)22-11-5-8-15(22)14-7-2-3-9-18-14/h2-4,6-7,9-10,15H,5,8,11H2,1H3/t15-/m0/s1.
What are the key properties of 3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 307.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97319680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).