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

C14H22N6O2 — CID 100841752

IUPAC(2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCC(C)c1noc([C@@H](C)N2CCO[C@@H](Cn3cncn3)C2)n1
InChIInChI=1S/C14H22N6O2/c1-10(2)13-17-14(22-18-13)11(3)19-4-5-21-12(6-19)7-20-9-15-8-16-20/h8-12H,4-7H2,1-3H3/t11-,12-/m1/s1
InChIKeyWXVHVJRSHALPEV-VXGBXAGGSA-N
MW306.37 g/mol
LogP1.25
Rot. Bonds5

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

(2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 100841752) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID100841752
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name(2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCC(C)c1noc([C@@H](C)N2CCO[C@@H](Cn3cncn3)C2)n1
InChIInChI=1S/C14H22N6O2/c1-10(2)13-17-14(22-18-13)11(3)19-4-5-21-12(6-19)7-20-9-15-8-16-20/h8-12H,4-7H2,1-3H3/t11-,12-/m1/s1
InChIKeyWXVHVJRSHALPEV-VXGBXAGGSA-N
XLogP1.25
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 100841752) is (2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is CC(C)c1noc([C@@H](C)N2CCO[C@@H](Cn3cncn3)C2)n1.
What is the InChIKey of (2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is WXVHVJRSHALPEV-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-10(2)13-17-14(22-18-13)11(3)19-4-5-21-12(6-19)7-20-9-15-8-16-20/h8-12H,4-7H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 306.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 100841752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).