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

C11H15N5O2 — CID 103971863

IUPAC2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1nn(C)cc1-c1nc(C2CNCCO2)no1
InChIInChI=1S/C11H15N5O2/c1-7-8(6-16(2)14-7)11-13-10(15-18-11)9-5-12-3-4-17-9/h6,9,12H,3-5H2,1-2H3
InChIKeyDEJIVQHSESIZBB-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.44
Rot. Bonds2

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

2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971863) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971863
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1nn(C)cc1-c1nc(C2CNCCO2)no1
InChIInChI=1S/C11H15N5O2/c1-7-8(6-16(2)14-7)11-13-10(15-18-11)9-5-12-3-4-17-9/h6,9,12H,3-5H2,1-2H3
InChIKeyDEJIVQHSESIZBB-UHFFFAOYSA-N
XLogP0.44
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971821
2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972045
2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 104630877
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971809
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971869
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807
2-(1,4-dimethylpyrazol-3-yl)morpholine
CID 131585478
2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972048
2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104637578
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971796
5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958592
N-ethyl-N-[(3-morpholin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 138059178

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971863) is 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is Cc1nn(C)cc1-c1nc(C2CNCCO2)no1.
What is the InChIKey of 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is DEJIVQHSESIZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7-8(6-16(2)14-7)11-13-10(15-18-11)9-5-12-3-4-17-9/h6,9,12H,3-5H2,1-2H3.
What are the key properties of 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 249.27 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).