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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Related Compounds

5-(4-methylpiperidin-2-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 114876582
5-(4-methoxypyrrolidin-2-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 114876959
3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 91663021
3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 136984490
3-(4-methyl-3-pyridinyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104982341
5-(4-methylpiperidin-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 114424980
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
(1S,6R)-6-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylic acid
CID 104982366
3-(4-methyl-3-pyridinyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 114877020
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
3-(4-methyl-1,3-oxazol-2-yl)morpholine;dihydrochloride
CID 170918364
3-(3-fluoro-4-pyridinyl)morpholine
CID 55282870

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).