2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate

C15H13F3N4O4 — CID 60541857

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESO=C(CCc1nc(-c2ccco2)no1)OCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C15H13F3N4O4/c16-15(17,18)13-9(8-19-21-13)5-7-25-12(23)4-3-11-20-14(22-26-11)10-2-1-6-24-10/h1-2,6,8H,3-5,7H2,(H,19,21)
InChIKeyQLTQALYXNISDHQ-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.79
Rot. Bonds7

About 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate

2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate (PubChem CID 60541857) has the molecular formula C15H13F3N4O4 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
PubChem CID60541857
Molecular FormulaC15H13F3N4O4
Molecular Weight370.29 g/mol
Exact Mass370.09
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
SMILESO=C(CCc1nc(-c2ccco2)no1)OCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C15H13F3N4O4/c16-15(17,18)13-9(8-19-21-13)5-7-25-12(23)4-3-11-20-14(22-26-11)10-2-1-6-24-10/h1-2,6,8H,3-5,7H2,(H,19,21)
InChIKeyQLTQALYXNISDHQ-UHFFFAOYSA-N
XLogP2.79
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate 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

[2-(azocan-1-yl)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55554287
(2,4-dichlorophenyl)methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55552958
(7-methoxynaphthalen-2-yl) 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 36808276
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553287
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553176
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-oxo-2-[5-(trifluoromethyl)-2-pyridinyl]pentanenitrile
CID 86981923
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide
CID 156585580
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553407
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553285
propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 36801497

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate (CID 60541857) is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate is O=C(CCc1nc(-c2ccco2)no1)OCCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
The InChIKey is QLTQALYXNISDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O4/c16-15(17,18)13-9(8-19-21-13)5-7-25-12(23)4-3-11-20-14(22-26-11)10-2-1-6-24-10/h1-2,6,8H,3-5,7H2,(H,19,21).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate?
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate has a molecular weight of 370.29 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate is sourced from PubChem (CID 60541857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).