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

C11H10Cl2N4O2 — CID 79786760

IUPAC2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESClc1cnc(-c2noc(C3CNCCO3)n2)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4O2/c12-6-3-7(13)9(15-4-6)10-16-11(19-17-10)8-5-14-1-2-18-8/h3-4,8,14H,1-2,5H2
InChIKeyKJIPWWBWJVAZGM-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.10
Rot. Bonds2

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

2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 79786760) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID79786760
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC Name2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESClc1cnc(-c2noc(C3CNCCO3)n2)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4O2/c12-6-3-7(13)9(15-4-6)10-16-11(19-17-10)8-5-14-1-2-18-8/h3-4,8,14H,1-2,5H2
InChIKeyKJIPWWBWJVAZGM-UHFFFAOYSA-N
XLogP2.10
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 79786760) is 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine is Clc1cnc(-c2noc(C3CNCCO3)n2)c(Cl)c1.
What is the InChIKey of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is KJIPWWBWJVAZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c12-6-3-7(13)9(15-4-6)10-16-11(19-17-10)8-5-14-1-2-18-8/h3-4,8,14H,1-2,5H2.
What are the key properties of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine?
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 301.13 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 79786760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).