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

C12H14N4O2 — CID 114876910

IUPAC3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCc1ccncc1-c1noc(C2COCCN2)n1
InChIInChI=1S/C12H14N4O2/c1-8-2-3-13-6-9(8)11-15-12(18-16-11)10-7-17-5-4-14-10/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyPNMCVAAYANJBDX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.10
Rot. Bonds2

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

3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 114876910) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID114876910
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCc1ccncc1-c1noc(C2COCCN2)n1
InChIInChI=1S/C12H14N4O2/c1-8-2-3-13-6-9(8)11-15-12(18-16-11)10-7-17-5-4-14-10/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyPNMCVAAYANJBDX-UHFFFAOYSA-N
XLogP1.10
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 114876910) is 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine is Cc1ccncc1-c1noc(C2COCCN2)n1.
What is the InChIKey of 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is PNMCVAAYANJBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-2-3-13-6-9(8)11-15-12(18-16-11)10-7-17-5-4-14-10/h2-3,6,10,14H,4-5,7H2,1H3.
What are the key properties of 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 246.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 114876910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).