2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine

C17H20N6O2 — CID 71918717

IUPAC2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1noc(-c2cccnc2N2CCOC(C)(c3cnn(C)c3)C2)n1
InChIInChI=1S/C17H20N6O2/c1-12-20-16(25-21-12)14-5-4-6-18-15(14)23-7-8-24-17(2,11-23)13-9-19-22(3)10-13/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyXAFWYIGRVJQXAR-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.93
Rot. Bonds3

About 2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine

2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 71918717) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID71918717
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1noc(-c2cccnc2N2CCOC(C)(c3cnn(C)c3)C2)n1
InChIInChI=1S/C17H20N6O2/c1-12-20-16(25-21-12)14-5-4-6-18-15(14)23-7-8-24-17(2,11-23)13-9-19-22(3)10-13/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyXAFWYIGRVJQXAR-UHFFFAOYSA-N
XLogP1.93
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine (CID 71918717) is 2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1noc(-c2cccnc2N2CCOC(C)(c3cnn(C)c3)C2)n1.
What is the InChIKey of 2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is XAFWYIGRVJQXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-20-16(25-21-12)14-5-4-6-18-15(14)23-7-8-24-17(2,11-23)13-9-19-22(3)10-13/h4-6,9-10H,7-8,11H2,1-3H3.
What are the key properties of 2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine?
2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 340.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 71918717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).