(2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

C15H20N4O2S — CID 100568597

IUPAC(2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc([C@@H]2CN([C@H](C)c3nc(C4CC4)no3)CCO2)n1
InChIInChI=1S/C15H20N4O2S/c1-9-8-22-15(16-9)12-7-19(5-6-20-12)10(2)14-17-13(18-21-14)11-3-4-11/h8,10-12H,3-7H2,1-2H3/t10-,12+/m1/s1
InChIKeyZWKXYSDZTYQTPU-PWSUYJOCSA-N
MW320.42 g/mol
LogP2.85
Rot. Bonds4

About (2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

(2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 100568597) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID100568597
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc([C@@H]2CN([C@H](C)c3nc(C4CC4)no3)CCO2)n1
InChIInChI=1S/C15H20N4O2S/c1-9-8-22-15(16-9)12-7-19(5-6-20-12)10(2)14-17-13(18-21-14)11-3-4-11/h8,10-12H,3-7H2,1-2H3/t10-,12+/m1/s1
InChIKeyZWKXYSDZTYQTPU-PWSUYJOCSA-N
XLogP2.85
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 100568597) is (2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc([C@@H]2CN([C@H](C)c3nc(C4CC4)no3)CCO2)n1.
What is the InChIKey of (2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is ZWKXYSDZTYQTPU-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9-8-22-15(16-9)12-7-19(5-6-20-12)10(2)14-17-13(18-21-14)11-3-4-11/h8,10-12H,3-7H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of (2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
(2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 320.42 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 (2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 100568597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).