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

C10H13N5O2 — CID 136883340

IUPAC3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1[nH]ncc1-c1nc(C2COCCN2)no1
InChIInChI=1S/C10H13N5O2/c1-6-7(4-12-14-6)10-13-9(15-17-10)8-5-16-3-2-11-8/h4,8,11H,2-3,5H2,1H3,(H,12,14)
InChIKeyFJWKCTKWBLZXIG-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.43
Rot. Bonds2

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

3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 136883340) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID136883340
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1[nH]ncc1-c1nc(C2COCCN2)no1
InChIInChI=1S/C10H13N5O2/c1-6-7(4-12-14-6)10-13-9(15-17-10)8-5-16-3-2-11-8/h4,8,11H,2-3,5H2,1H3,(H,12,14)
InChIKeyFJWKCTKWBLZXIG-UHFFFAOYSA-N
XLogP0.43
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971569
3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 107099560
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971488
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104672077
3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971687
3-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360122
3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971678
3-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971456
3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75484051
3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
CID 75484039

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 136883340) is 3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is Cc1[nH]ncc1-c1nc(C2COCCN2)no1.
What is the InChIKey of 3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is FJWKCTKWBLZXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-7(4-12-14-6)10-13-9(15-17-10)8-5-16-3-2-11-8/h4,8,11H,2-3,5H2,1H3,(H,12,14).
What are the key properties of 3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 235.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 136883340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).