3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole

C15H21N5O2 — CID 98763222

IUPAC3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CCCN([C@H](C)c3nc(C4CC4)no3)C2)n1
InChIInChI=1S/C15H21N5O2/c1-9(14-17-13(19-21-14)11-5-6-11)20-7-3-4-12(8-20)15-16-10(2)18-22-15/h9,11-12H,3-8H2,1-2H3/t9-,12+/m1/s1
InChIKeyXTWNVAXMQQYUBC-SKDRFNHKSA-N
MW303.37 g/mol
LogP2.58
Rot. Bonds4

About 3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 98763222) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID98763222
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CCCN([C@H](C)c3nc(C4CC4)no3)C2)n1
InChIInChI=1S/C15H21N5O2/c1-9(14-17-13(19-21-14)11-5-6-11)20-7-3-4-12(8-20)15-16-10(2)18-22-15/h9,11-12H,3-8H2,1-2H3/t9-,12+/m1/s1
InChIKeyXTWNVAXMQQYUBC-SKDRFNHKSA-N
XLogP2.58
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[(3S)-1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 94571823
3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 94571812
3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100836889
5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 95325345
2-[(1R)-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 100837521
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98798335
4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile
CID 71928556
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
3-cyclopropyl-5-[(1R)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278660
(2S)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 95780548

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 98763222) is 3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1noc([C@H]2CCCN([C@H](C)c3nc(C4CC4)no3)C2)n1.
What is the InChIKey of 3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is XTWNVAXMQQYUBC-SKDRFNHKSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9(14-17-13(19-21-14)11-5-6-11)20-7-3-4-12(8-20)15-16-10(2)18-22-15/h9,11-12H,3-8H2,1-2H3/t9-,12+/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 303.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 98763222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).