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

C15H18N6O2S — CID 95351628

IUPAC(2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESC[C@H](c1nc(-c2cccs2)no1)N1CCO[C@H](Cn2cncn2)C1
InChIInChI=1S/C15H18N6O2S/c1-11(15-18-14(19-23-15)13-3-2-6-24-13)20-4-5-22-12(7-20)8-21-10-16-9-17-21/h2-3,6,9-12H,4-5,7-8H2,1H3/t11-,12+/m1/s1
InChIKeyVQQOOHWJEOOPGX-NEPJUHHUSA-N
MW346.42 g/mol
LogP1.85
Rot. Bonds5

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

(2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 95351628) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is (2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID95351628
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name(2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESC[C@H](c1nc(-c2cccs2)no1)N1CCO[C@H](Cn2cncn2)C1
InChIInChI=1S/C15H18N6O2S/c1-11(15-18-14(19-23-15)13-3-2-6-24-13)20-4-5-22-12(7-20)8-21-10-16-9-17-21/h2-3,6,9-12H,4-5,7-8H2,1H3/t11-,12+/m1/s1
InChIKeyVQQOOHWJEOOPGX-NEPJUHHUSA-N
XLogP1.85
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 95351628) is (2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is C[C@H](c1nc(-c2cccs2)no1)N1CCO[C@H](Cn2cncn2)C1.
What is the InChIKey of (2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is VQQOOHWJEOOPGX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-11(15-18-14(19-23-15)13-3-2-6-24-13)20-4-5-22-12(7-20)8-21-10-16-9-17-21/h2-3,6,9-12H,4-5,7-8H2,1H3/t11-,12+/m1/s1.
What are the key properties of (2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 346.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95351628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).