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

C10H13N5O2 — CID 75480427

IUPAC3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCn1cc(-c2nc(C3COCCN3)no2)cn1
InChIInChI=1S/C10H13N5O2/c1-15-5-7(4-12-15)10-13-9(14-17-10)8-6-16-3-2-11-8/h4-5,8,11H,2-3,6H2,1H3
InChIKeyDKBAKNZFSBJHFO-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.13
Rot. Bonds2

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

3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 75480427) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID75480427
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCn1cc(-c2nc(C3COCCN3)no2)cn1
InChIInChI=1S/C10H13N5O2/c1-15-5-7(4-12-15)10-13-9(14-17-10)8-6-16-3-2-11-8/h4-5,8,11H,2-3,6H2,1H3
InChIKeyDKBAKNZFSBJHFO-UHFFFAOYSA-N
XLogP0.13
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 75480427) is 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is Cn1cc(-c2nc(C3COCCN3)no2)cn1.
What is the InChIKey of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is DKBAKNZFSBJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-15-5-7(4-12-15)10-13-9(14-17-10)8-6-16-3-2-11-8/h4-5,8,11H,2-3,6H2,1H3.
What are the key properties of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 235.25 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 75480427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).