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

C16H25N5O2 — CID 94571812

IUPAC3-tert-butyl-5-[(1S)-1-[(3R)-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(C(C)(C)C)no3)C2)n1
InChIInChI=1S/C16H25N5O2/c1-10(13-18-15(20-22-13)16(3,4)5)21-8-6-7-12(9-21)14-17-11(2)19-23-14/h10,12H,6-9H2,1-5H3/t10-,12+/m0/s1
InChIKeyWTGPHDMPPPTIBL-CMPLNLGQSA-N
MW319.41 g/mol
LogP3.00
Rot. Bonds3

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

3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 94571812) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID94571812
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-tert-butyl-5-[(1S)-1-[(3R)-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(C(C)(C)C)no3)C2)n1
InChIInChI=1S/C16H25N5O2/c1-10(13-18-15(20-22-13)16(3,4)5)21-8-6-7-12(9-21)14-17-11(2)19-23-14/h10,12H,6-9H2,1-5H3/t10-,12+/m0/s1
InChIKeyWTGPHDMPPPTIBL-CMPLNLGQSA-N
XLogP3.00
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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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-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98763222
N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 98773208
[1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 56812956
(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
(2R)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 124859531
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 71939627
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100836889
3-tert-butyl-5-[(1S)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95318424
1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide
CID 37258781
3-propyl-5-[(1S)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100835877

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 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) is 3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[(1S)-1-[(3R)-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(C(C)(C)C)no3)C2)n1.
What is the InChIKey of 3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is WTGPHDMPPPTIBL-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-10(13-18-15(20-22-13)16(3,4)5)21-8-6-7-12(9-21)14-17-11(2)19-23-14/h10,12H,6-9H2,1-5H3/t10-,12+/m0/s1.
What are the key properties of 3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(1S)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 94571812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).