4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine

C12H20N4O2 — CID 104915033

IUPAC4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESCN1CCOC(c2noc([C@@H]3CCCCN3)n2)C1
InChIInChI=1S/C12H20N4O2/c1-16-6-7-17-10(8-16)11-14-12(18-15-11)9-4-2-3-5-13-9/h9-10,13H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyNXOYVOCVNWHFEN-RGURZIINSA-N
MW252.32 g/mol
LogP0.89
Rot. Bonds2

About 4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine

4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 104915033) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID104915033
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESCN1CCOC(c2noc([C@@H]3CCCCN3)n2)C1
InChIInChI=1S/C12H20N4O2/c1-16-6-7-17-10(8-16)11-14-12(18-15-11)9-4-2-3-5-13-9/h9-10,13H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyNXOYVOCVNWHFEN-RGURZIINSA-N
XLogP0.89
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
CID 104900713
4-methyl-2-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 79077245
3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 104915036
cis-(1S,3R)-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323443
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
5-(azepan-2-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazole
CID 116807687
5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 115080796
4-methyl-2-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79078452

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine (CID 104915033) is 4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine is CN1CCOC(c2noc([C@@H]3CCCCN3)n2)C1.
What is the InChIKey of 4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is NXOYVOCVNWHFEN-RGURZIINSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-6-7-17-10(8-16)11-14-12(18-15-11)9-4-2-3-5-13-9/h9-10,13H,2-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of 4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine?
4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 252.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 104915033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).