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

C14H20N6O2 — CID 95352438

IUPAC(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCO[C@H](Cn2cncn2)C1
InChIInChI=1S/C14H20N6O2/c1-10(14-17-13(18-22-14)11-2-3-11)19-4-5-21-12(6-19)7-20-9-15-8-16-20/h8-12H,2-7H2,1H3/t10-,12-/m0/s1
InChIKeyDHHMOUVDKKROJN-JQWIXIFHSA-N
MW304.35 g/mol
LogP1.00
Rot. Bonds5

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

(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 95352438) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID95352438
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCO[C@H](Cn2cncn2)C1
InChIInChI=1S/C14H20N6O2/c1-10(14-17-13(18-22-14)11-2-3-11)19-4-5-21-12(6-19)7-20-9-15-8-16-20/h8-12H,2-7H2,1H3/t10-,12-/m0/s1
InChIKeyDHHMOUVDKKROJN-JQWIXIFHSA-N
XLogP1.00
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 95352438) is (2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is C[C@@H](c1nc(C2CC2)no1)N1CCO[C@H](Cn2cncn2)C1.
What is the InChIKey of (2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is DHHMOUVDKKROJN-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-10(14-17-13(18-22-14)11-2-3-11)19-4-5-21-12(6-19)7-20-9-15-8-16-20/h8-12H,2-7H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 304.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95352438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).