3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

C11H16F3N3O2 — CID 63708363

IUPAC3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCCCOCc1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C11H16F3N3O2/c1-2-5-18-6-8-16-9(19-17-8)10(11(12,13)14)3-4-15-7-10/h15H,2-7H2,1H3
InChIKeyCMIQHTDNFMTOJN-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.79
Rot. Bonds5

About 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 63708363) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID63708363
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCCCOCc1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C11H16F3N3O2/c1-2-5-18-6-8-16-9(19-17-8)10(11(12,13)14)3-4-15-7-10/h15H,2-7H2,1H3
InChIKeyCMIQHTDNFMTOJN-UHFFFAOYSA-N
XLogP1.79
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole 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-Methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole hydrochloride
CID 134691093
8-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-oxa-6-azaspiro[3.4]octane
CID 138039399
4-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-YL]pyrrolidine-3-carboxamide
CID 91911133
4-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-YL]-N-methylpyrrolidine-3-carboxamide
CID 91911141
5-[(3S)-pyrrolidin-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
CID 174520949
1-methoxy-N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55202624
3-Cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 55226880
3-(2,2,2-Trifluoroethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 55226882
3-Butan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 55230559
5-Pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 63031139
5-(3-Methylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 63144874
5-(3-Ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 63144875

Frequently Asked Questions

What is the IUPAC name of 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 63708363) is 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is CCCOCc1noc(C2(C(F)(F)F)CCNC2)n1.
What is the InChIKey of 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is CMIQHTDNFMTOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-2-5-18-6-8-16-9(19-17-8)10(11(12,13)14)3-4-15-7-10/h15H,2-7H2,1H3.
What are the key properties of 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 279.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propoxymethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 63708363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).