3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C7H8F3N3O2 — CID 106743618

IUPAC3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(C(F)(F)F)no2)CCNC1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-12-5(15-13-4)6(14)1-2-11-3-6/h11,14H,1-3H2
InChIKeyMMCPNLMEAQQFDC-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.27
Rot. Bonds1

About 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743618) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743618
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(C(F)(F)F)no2)CCNC1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-12-5(15-13-4)6(14)1-2-11-3-6/h11,14H,1-3H2
InChIKeyMMCPNLMEAQQFDC-UHFFFAOYSA-N
XLogP0.27
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743556
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743346
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743319
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743507
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
3-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743552
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743686
3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107923475

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743618) is 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1(c2nc(C(F)(F)F)no2)CCNC1.
What is the InChIKey of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is MMCPNLMEAQQFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)4-12-5(15-13-4)6(14)1-2-11-3-6/h11,14H,1-3H2.
What are the key properties of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 223.15 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).