3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole

C18H27N5O2 — CID 167966507

IUPAC3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCO[C@H]2C2CCN(CCc3cn[nH]c3)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-13-21-18(25-22-13)16-3-2-10-24-17(16)15-5-8-23(9-6-15)7-4-14-11-19-20-12-14/h11-12,15-17H,2-10H2,1H3,(H,19,20)/t16-,17+/m1/s1
InChIKeyUTIAXHJWXLEJHB-SJORKVTESA-N
MW345.45 g/mol
LogP2.32
Rot. Bonds5

About 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole

3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole (PubChem CID 167966507) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
PubChem CID167966507
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCO[C@H]2C2CCN(CCc3cn[nH]c3)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-13-21-18(25-22-13)16-3-2-10-24-17(16)15-5-8-23(9-6-15)7-4-14-11-19-20-12-14/h11-12,15-17H,2-10H2,1H3,(H,19,20)/t16-,17+/m1/s1
InChIKeyUTIAXHJWXLEJHB-SJORKVTESA-N
XLogP2.32
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-5-[(2S,3R)-2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
CID 167934478
3-methyl-5-[(2S,3R)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
CID 146139495
3-methyl-5-[(2S,3R)-2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
CID 138019437
5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 96512014
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 47388339
2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol
CID 111332747
5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole
CID 21476654
5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 51087893
5-[1-(2-ethenoxyethyl)piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 167969051
(2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine
CID 124749992
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94544768
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole (CID 167966507) is 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole is Cc1noc([C@@H]2CCCO[C@H]2C2CCN(CCc3cn[nH]c3)CC2)n1.
What is the InChIKey of 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole?
The InChIKey is UTIAXHJWXLEJHB-SJORKVTESA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-21-18(25-22-13)16-3-2-10-24-17(16)15-5-8-23(9-6-15)7-4-14-11-19-20-12-14/h11-12,15-17H,2-10H2,1H3,(H,19,20)/t16-,17+/m1/s1.
What are the key properties of 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole has a molecular weight of 345.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2S,3R)-2-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 167966507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).