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

C18H26N4O3 — CID 146139495

IUPAC3-methyl-5-[(2S,3R)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
SMILESCc1cc(CN2CCC([C@@H]3OCCC[C@H]3c3nc(C)no3)CC2)on1
InChIInChI=1S/C18H26N4O3/c1-12-10-15(24-20-12)11-22-7-5-14(6-8-22)17-16(4-3-9-23-17)18-19-13(2)21-25-18/h10,14,16-17H,3-9,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyPNJOMSZFKZCJAV-SJORKVTESA-N
MW346.43 g/mol
LogP2.85
Rot. Bonds4

About 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

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 (PubChem CID 146139495) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-methyl-5-[(2S,3R)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
PubChem CID146139495
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-methyl-5-[(2S,3R)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
SMILESCc1cc(CN2CCC([C@@H]3OCCC[C@H]3c3nc(C)no3)CC2)on1
InChIInChI=1S/C18H26N4O3/c1-12-10-15(24-20-12)11-22-7-5-14(6-8-22)17-16(4-3-9-23-17)18-19-13(2)21-25-18/h10,14,16-17H,3-9,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyPNJOMSZFKZCJAV-SJORKVTESA-N
XLogP2.85
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 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-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
CID 167966507
3-methyl-5-[(2S,3R)-2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
CID 138019437
(2R,3S)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978878
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
3-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 53017358
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 63594677
[(2R,3S)-2-ethyloxan-3-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 129492691
(2R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 99926715
5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 120967134
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771137

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(CN2CCC([C@@H]3OCCC[C@H]3c3nc(C)no3)CC2)on1.
What is the InChIKey of 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?
The InChIKey is PNJOMSZFKZCJAV-SJORKVTESA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-10-15(24-20-12)11-22-7-5-14(6-8-22)17-16(4-3-9-23-17)18-19-13(2)21-25-18/h10,14,16-17H,3-9,11H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 346.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146139495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).