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

C15H24N6O2 — CID 95978930

IUPAC(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCc1nc(C)n(C[C@@H]2CN(Cc3nnc(C(C)C)o3)CCO2)n1
InChIInChI=1S/C15H24N6O2/c1-10(2)15-18-17-14(23-15)9-20-5-6-22-13(7-20)8-21-12(4)16-11(3)19-21/h10,13H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyOBRJUAYDMYQAOF-ZDUSSCGKSA-N
MW320.40 g/mol
LogP1.30
Rot. Bonds5

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

(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine (PubChem CID 95978930) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
PubChem CID95978930
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCc1nc(C)n(C[C@@H]2CN(Cc3nnc(C(C)C)o3)CCO2)n1
InChIInChI=1S/C15H24N6O2/c1-10(2)15-18-17-14(23-15)9-20-5-6-22-13(7-20)8-21-12(4)16-11(3)19-21/h10,13H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyOBRJUAYDMYQAOF-ZDUSSCGKSA-N
XLogP1.30
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.30
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-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine (CID 95978930) is (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine is Cc1nc(C)n(C[C@@H]2CN(Cc3nnc(C(C)C)o3)CCO2)n1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The InChIKey is OBRJUAYDMYQAOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-10(2)15-18-17-14(23-15)9-20-5-6-22-13(7-20)8-21-12(4)16-11(3)19-21/h10,13H,5-9H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine has a molecular weight of 320.40 g/mol, XLogP of 1.30, 5 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-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 95978930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).