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

C14H18F3N5O2 — CID 127705652

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCc1n[nH]c(C)c1C1COCCN1Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C14H18F3N5O2/c1-8-13(9(2)20-19-8)10-7-23-4-3-22(10)6-12-18-11(21-24-12)5-14(15,16)17/h10H,3-7H2,1-2H3,(H,19,20)
InChIKeyZLWSVBZIRSOSCJ-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.09
Rot. Bonds4

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 127705652) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID127705652
Molecular FormulaC14H18F3N5O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCc1n[nH]c(C)c1C1COCCN1Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C14H18F3N5O2/c1-8-13(9(2)20-19-8)10-7-23-4-3-22(10)6-12-18-11(21-24-12)5-14(15,16)17/h10H,3-7H2,1-2H3,(H,19,20)
InChIKeyZLWSVBZIRSOSCJ-UHFFFAOYSA-N
XLogP2.09
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 127705652) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is Cc1n[nH]c(C)c1C1COCCN1Cc1nc(CC(F)(F)F)no1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is ZLWSVBZIRSOSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c1-8-13(9(2)20-19-8)10-7-23-4-3-22(10)6-12-18-11(21-24-12)5-14(15,16)17/h10H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 345.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 127705652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).