(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine

C14H19N3O2S — CID 98684296

IUPAC(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
SMILESC[C@@H]1CN([C@H](C)c2nnc(-c3cccs3)o2)C[C@H](C)O1
InChIInChI=1S/C14H19N3O2S/c1-9-7-17(8-10(2)18-9)11(3)13-15-16-14(19-13)12-5-4-6-20-12/h4-6,9-11H,7-8H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyNTEYNBQLFFMRJO-OUAUKWLOSA-N
MW293.39 g/mol
LogP2.97
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine

(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine (PubChem CID 98684296) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
PubChem CID98684296
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
SMILESC[C@@H]1CN([C@H](C)c2nnc(-c3cccs3)o2)C[C@H](C)O1
InChIInChI=1S/C14H19N3O2S/c1-9-7-17(8-10(2)18-9)11(3)13-15-16-14(19-13)12-5-4-6-20-12/h4-6,9-11H,7-8H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyNTEYNBQLFFMRJO-OUAUKWLOSA-N
XLogP2.97
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-2,2,6-trimethyl-4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 95136868
2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95156130
1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019750
2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95293704
[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111543771
(2S,6S)-2,6-dimethyl-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98950692
1-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 9034758
(2R)-2-phenyl-4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 94820850
(2R,6S)-4-[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,6-dimethylmorpholine
CID 29241115
2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 97027423
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 46824430
(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine (CID 98684296) is (2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine is C[C@@H]1CN([C@H](C)c2nnc(-c3cccs3)o2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine?
The InChIKey is NTEYNBQLFFMRJO-OUAUKWLOSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-7-17(8-10(2)18-9)11(3)13-15-16-14(19-13)12-5-4-6-20-12/h4-6,9-11H,7-8H2,1-3H3/t9-,10+,11-/m1/s1.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine has a molecular weight of 293.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine is sourced from PubChem (CID 98684296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).