furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C15H16F3N3O3 — CID 136531197

IUPACfuran-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(c2nc(CCC(F)(F)F)no2)CC1
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)5-1-12-19-13(24-20-12)10-2-6-21(7-3-10)14(22)11-4-8-23-9-11/h4,8-10H,1-3,5-7H2
InChIKeyBHYVWTJWFQKMJL-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.18
Rot. Bonds4

About furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 136531197) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID136531197
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Namefuran-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(c2nc(CCC(F)(F)F)no2)CC1
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)5-1-12-19-13(24-20-12)10-2-6-21(7-3-10)14(22)11-4-8-23-9-11/h4,8-10H,1-3,5-7H2
InChIKeyBHYVWTJWFQKMJL-UHFFFAOYSA-N
XLogP3.18
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride
CID 120861983
[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120865692
furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417650
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
(3-methyl-1,2-oxazol-5-yl)-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51984864
[6-[(3R)-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]naphthalen-2-yl]-[(3R)-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 177345083
1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 142004042
4,4,4-trifluoro-1-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 56946259
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 15947762
[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 51936604

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 136531197) is furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCC(c2nc(CCC(F)(F)F)no2)CC1.
What is the InChIKey of furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is BHYVWTJWFQKMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c16-15(17,18)5-1-12-19-13(24-20-12)10-2-6-21(7-3-10)14(22)11-4-8-23-9-11/h4,8-10H,1-3,5-7H2.
What are the key properties of furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 343.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 136531197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).