(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one

C16H26N4O3S — CID 129327281

IUPAC(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
SMILESCC(C)c1nnc([C@H]2COCCN2C(=O)[C@@H](C)N2CCSCC2)o1
InChIInChI=1S/C16H26N4O3S/c1-11(2)14-17-18-15(23-14)13-10-22-7-4-20(13)16(21)12(3)19-5-8-24-9-6-19/h11-13H,4-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyRUVRHJBAZJGUPS-CHWSQXEVSA-N
MW354.48 g/mol
LogP1.53
Rot. Bonds4

About (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one

(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one (PubChem CID 129327281) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
PubChem CID129327281
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
SMILESCC(C)c1nnc([C@H]2COCCN2C(=O)[C@@H](C)N2CCSCC2)o1
InChIInChI=1S/C16H26N4O3S/c1-11(2)14-17-18-15(23-14)13-10-22-7-4-20(13)16(21)12(3)19-5-8-24-9-6-19/h11-13H,4-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyRUVRHJBAZJGUPS-CHWSQXEVSA-N
XLogP1.53
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one (CID 129327281) is (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one is CC(C)c1nnc([C@H]2COCCN2C(=O)[C@@H](C)N2CCSCC2)o1.
What is the InChIKey of (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?
The InChIKey is RUVRHJBAZJGUPS-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-11(2)14-17-18-15(23-14)13-10-22-7-4-20(13)16(21)12(3)19-5-8-24-9-6-19/h11-13H,4-10H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?
(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one has a molecular weight of 354.48 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 129327281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).