(2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine

C16H23N3O2S — CID 100894135

IUPAC(2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine
SMILESCC(C)Cc1noc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)n1
InChIInChI=1S/C16H23N3O2S/c1-11(2)6-15-17-16(21-18-15)9-19-7-12(3)20-14(8-19)13-4-5-22-10-13/h4-5,10-12,14H,6-9H2,1-3H3/t12-,14+/m1/s1
InChIKeyLLWGAXSPMRYQIV-OCCSQVGLSA-N
MW321.45 g/mol
LogP3.29
Rot. Bonds5

About (2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine

(2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine (PubChem CID 100894135) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name(2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine
PubChem CID100894135
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine
SMILESCC(C)Cc1noc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)n1
InChIInChI=1S/C16H23N3O2S/c1-11(2)6-15-17-16(21-18-15)9-19-7-12(3)20-14(8-19)13-4-5-22-10-13/h4-5,10-12,14H,6-9H2,1-3H3/t12-,14+/m1/s1
InChIKeyLLWGAXSPMRYQIV-OCCSQVGLSA-N
XLogP3.29
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine
CID 71919365
(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine
CID 100841460
[(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758297
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684293
(2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 94017624
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]acetic acid
CID 64618289
(2S)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]hex-5-en-2-ol
CID 125131294
2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one
CID 119810944
(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 100876796
1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
5-(2-methylpropyl)-3-[(5-thiophen-3-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
CID 55602791
3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 134018585

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine?
The IUPAC name of (2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine (CID 100894135) is (2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine.
What is the SMILES notation for (2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine?
The canonical SMILES for (2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine is CC(C)Cc1noc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)n1.
What is the InChIKey of (2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine?
The InChIKey is LLWGAXSPMRYQIV-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(2)6-15-17-16(21-18-15)9-19-7-12(3)20-14(8-19)13-4-5-22-10-13/h4-5,10-12,14H,6-9H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of (2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine?
(2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine has a molecular weight of 321.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 100894135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).