2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole

C18H20N4O — CID 164639084

IUPAC2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCCN(Cc3cccc4ncccc34)C2)o1
InChIInChI=1S/C18H20N4O/c1-13-20-21-18(23-13)15-6-4-10-22(12-15)11-14-5-2-8-17-16(14)7-3-9-19-17/h2-3,5,7-9,15H,4,6,10-12H2,1H3/t15-/m0/s1
InChIKeyHWJORLHLTPWHKJ-HNNXBMFYSA-N
MW308.38 g/mol
LogP3.31
Rot. Bonds3

About 2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole

2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 164639084) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
PubChem CID164639084
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCCN(Cc3cccc4ncccc34)C2)o1
InChIInChI=1S/C18H20N4O/c1-13-20-21-18(23-13)15-6-4-10-22(12-15)11-14-5-2-8-17-16(14)7-3-9-19-17/h2-3,5,7-9,15H,4,6,10-12H2,1H3/t15-/m0/s1
InChIKeyHWJORLHLTPWHKJ-HNNXBMFYSA-N
XLogP3.31
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole (CID 164639084) is 2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole is Cc1nnc([C@H]2CCCN(Cc3cccc4ncccc34)C2)o1.
What is the InChIKey of 2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is HWJORLHLTPWHKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-20-21-18(23-13)15-6-4-10-22(12-15)11-14-5-2-8-17-16(14)7-3-9-19-17/h2-3,5,7-9,15H,4,6,10-12H2,1H3/t15-/m0/s1.
What are the key properties of 2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole?
2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 164639084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).