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

C15H23N5O2 — CID 94571823

IUPAC3-methyl-5-[(3S)-1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CCCN([C@@H](C)c3nc(C(C)C)no3)C2)n1
InChIInChI=1S/C15H23N5O2/c1-9(2)13-17-14(21-19-13)10(3)20-7-5-6-12(8-20)15-16-11(4)18-22-15/h9-10,12H,5-8H2,1-4H3/t10-,12-/m0/s1
InChIKeyYHBIWPGYZIMJGU-JQWIXIFHSA-N
MW305.38 g/mol
LogP2.83
Rot. Bonds4

About 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

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 (PubChem CID 94571823) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-methyl-5-[(3S)-1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID94571823
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-methyl-5-[(3S)-1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CCCN([C@@H](C)c3nc(C(C)C)no3)C2)n1
InChIInChI=1S/C15H23N5O2/c1-9(2)13-17-14(21-19-13)10(3)20-7-5-6-12(8-20)15-16-11(4)18-22-15/h9-10,12H,5-8H2,1-4H3/t10-,12-/m0/s1
InChIKeyYHBIWPGYZIMJGU-JQWIXIFHSA-N
XLogP2.83
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98763222
(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 94455628
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone
CID 98717396
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
N-(cyclopropylmethyl)-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 51081862
5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 99945566
(3S)-1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-ol
CID 94000661
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
(2R)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 124859531

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc([C@H]2CCCN([C@@H](C)c3nc(C(C)C)no3)C2)n1.
What is the InChIKey of 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?
The InChIKey is YHBIWPGYZIMJGU-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-9(2)13-17-14(21-19-13)10(3)20-7-5-6-12(8-20)15-16-11(4)18-22-15/h9-10,12H,5-8H2,1-4H3/t10-,12-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 305.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 94571823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).