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

C18H21N5O2 — CID 72909473

IUPAC4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
SMILESCc1cc(C)n(-c2ccc(-c3nc(CN4CCOCC4)no3)cc2)n1
InChIInChI=1S/C18H21N5O2/c1-13-11-14(2)23(20-13)16-5-3-15(4-6-16)18-19-17(21-25-18)12-22-7-9-24-10-8-22/h3-6,11H,7-10,12H2,1-2H3
InChIKeyZPGSPJUHESAMSL-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.37
Rot. Bonds4

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

4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine (PubChem CID 72909473) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
PubChem CID72909473
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
SMILESCc1cc(C)n(-c2ccc(-c3nc(CN4CCOCC4)no3)cc2)n1
InChIInChI=1S/C18H21N5O2/c1-13-11-14(2)23(20-13)16-5-3-15(4-6-16)18-19-17(21-25-18)12-22-7-9-24-10-8-22/h3-6,11H,7-10,12H2,1-2H3
InChIKeyZPGSPJUHESAMSL-UHFFFAOYSA-N
XLogP2.37
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine (CID 72909473) is 4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine is Cc1cc(C)n(-c2ccc(-c3nc(CN4CCOCC4)no3)cc2)n1.
What is the InChIKey of 4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The InChIKey is ZPGSPJUHESAMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-11-14(2)23(20-13)16-5-3-15(4-6-16)18-19-17(21-25-18)12-22-7-9-24-10-8-22/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine has a molecular weight of 339.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine is sourced from PubChem (CID 72909473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).