3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine

C15H20F3N5O3 — CID 154743242

IUPAC3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
SMILESCn1cc(-c2nc(C3COCCN3CCCOCC(F)(F)F)no2)cn1
InChIInChI=1S/C15H20F3N5O3/c1-22-8-11(7-19-22)14-20-13(21-26-14)12-9-24-6-4-23(12)3-2-5-25-10-15(16,17)18/h7-8,12H,2-6,9-10H2,1H3
InChIKeyIOZMOGPATQXIGY-UHFFFAOYSA-N
MW375.35 g/mol
LogP1.81
Rot. Bonds7

About 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine

3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine (PubChem CID 154743242) has the molecular formula C15H20F3N5O3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine.

Molecular Properties

Compound Name3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
PubChem CID154743242
Molecular FormulaC15H20F3N5O3
Molecular Weight375.35 g/mol
Exact Mass375.15
IUPAC Name3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
SMILESCn1cc(-c2nc(C3COCCN3CCCOCC(F)(F)F)no2)cn1
InChIInChI=1S/C15H20F3N5O3/c1-22-8-11(7-19-22)14-20-13(21-26-14)12-9-24-6-4-23(12)3-2-5-25-10-15(16,17)18/h7-8,12H,2-6,9-10H2,1H3
InChIKeyIOZMOGPATQXIGY-UHFFFAOYSA-N
XLogP1.81
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
CID 167973673
(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345982
(3R)-4-(2-methoxyethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344632
(3R)-4-(cyclohexylmethylsulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345911
[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
CID 97345988
(3R)-4-(4-ethylphenyl)sulfonyl-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345908
(3,5-dichlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 75475248
(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97345900
3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126779690
(E)-3-(2,6-difluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 75475246
N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
CID 127785689
2-fluoro-1-[2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]prop-2-en-1-one
CID 166417392

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
The IUPAC name of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine (CID 154743242) is 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine.
What is the SMILES notation for 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
The canonical SMILES for 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine is Cn1cc(-c2nc(C3COCCN3CCCOCC(F)(F)F)no2)cn1.
What is the InChIKey of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
The InChIKey is IOZMOGPATQXIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O3/c1-22-8-11(7-19-22)14-20-13(21-26-14)12-9-24-6-4-23(12)3-2-5-25-10-15(16,17)18/h7-8,12H,2-6,9-10H2,1H3.
What are the key properties of 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine has a molecular weight of 375.35 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine is sourced from PubChem (CID 154743242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).