2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

C17H23N5O — CID 95628191

IUPAC2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(Cc3nnc(C4CC4)o3)[C@H](C)C2)n1
InChIInChI=1S/C17H23N5O/c1-12-4-3-5-15(18-12)22-9-8-21(13(2)10-22)11-16-19-20-17(23-16)14-6-7-14/h3-5,13-14H,6-11H2,1-2H3/t13-/m1/s1
InChIKeyCYGAUNQOCONQAH-CYBMUJFWSA-N
MW313.40 g/mol
LogP2.36
Rot. Bonds4

About 2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95628191) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95628191
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(Cc3nnc(C4CC4)o3)[C@H](C)C2)n1
InChIInChI=1S/C17H23N5O/c1-12-4-3-5-15(18-12)22-9-8-21(13(2)10-22)11-16-19-20-17(23-16)14-6-7-14/h3-5,13-14H,6-11H2,1-2H3/t13-/m1/s1
InChIKeyCYGAUNQOCONQAH-CYBMUJFWSA-N
XLogP2.36
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 95628191) is 2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Cc1cccc(N2CCN(Cc3nnc(C4CC4)o3)[C@H](C)C2)n1.
What is the InChIKey of 2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is CYGAUNQOCONQAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-4-3-5-15(18-12)22-9-8-21(13(2)10-22)11-16-19-20-17(23-16)14-6-7-14/h3-5,13-14H,6-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 313.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[(2R)-2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95628191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).