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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Related Compounds

4-[[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53562867
2-[5-(1-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepane
CID 75451169
1-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 45826733
N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-methyl-1H-pyrazol-1-yl)propanamide
CID 91842632
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-1H-pyrazole-4-carboxamide
CID 118762299
1-Methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 103472590
1-Methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 103473021
3-[5-(1-Methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
CID 154743242
N-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 45826724
N-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 45826732
N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 45826734
ethyl 2-(3-((3-(1-ethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-5-yl)methyl)ureido)propanoate
CID 119104985

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).