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

C14H22N6O2 — CID 98768792

IUPAC(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCc1noc([C@@H](C)N2CCO[C@H](Cn3nc(C)nc3C)C2)n1
InChIInChI=1S/C14H22N6O2/c1-9(14-16-11(3)18-22-14)19-5-6-21-13(7-19)8-20-12(4)15-10(2)17-20/h9,13H,5-8H2,1-4H3/t9-,13+/m1/s1
InChIKeyMJALUOBNIRGCQS-RNCFNFMXSA-N
MW306.37 g/mol
LogP1.05
Rot. Bonds4

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

(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (PubChem CID 98768792) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
PubChem CID98768792
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCc1noc([C@@H](C)N2CCO[C@H](Cn3nc(C)nc3C)C2)n1
InChIInChI=1S/C14H22N6O2/c1-9(14-16-11(3)18-22-14)19-5-6-21-13(7-19)8-20-12(4)15-10(2)17-20/h9,13H,5-8H2,1-4H3/t9-,13+/m1/s1
InChIKeyMJALUOBNIRGCQS-RNCFNFMXSA-N
XLogP1.05
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (CID 98768792) is (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is Cc1noc([C@@H](C)N2CCO[C@H](Cn3nc(C)nc3C)C2)n1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The InChIKey is MJALUOBNIRGCQS-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-9(14-16-11(3)18-22-14)19-5-6-21-13(7-19)8-20-12(4)15-10(2)17-20/h9,13H,5-8H2,1-4H3/t9-,13+/m1/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine has a molecular weight of 306.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 98768792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).