5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole

C15H21F3N4O — CID 70770891

IUPAC5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(CN2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)n1
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)14-19-13(23-20-14)9-21-5-11-3-4-12(8-21)22(7-11)6-10-1-2-10/h10-12H,1-9H2/t11-,12+/m0/s1
InChIKeyRSBFNEMFKRUREQ-NWDGAFQWSA-N
MW330.35 g/mol
LogP2.39
Rot. Bonds4

About 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole

5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 70770891) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID70770891
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(CN2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)n1
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)14-19-13(23-20-14)9-21-5-11-3-4-12(8-21)22(7-11)6-10-1-2-10/h10-12H,1-9H2/t11-,12+/m0/s1
InChIKeyRSBFNEMFKRUREQ-NWDGAFQWSA-N
XLogP2.39
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 122565038
5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 171533011
(1R,5S)-6-(cyclopropylmethyl)-3-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133124265
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole
CID 72936980
(4aS,7aR)-1-ethyl-4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 133110748
(1R,5S)-6-(cyclobutylmethyl)-3-(1H-imidazol-5-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133125694
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 72878100
[(4aR,8aR)-4a-hydroxy-7-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-cyclopentylmethanone
CID 72908835
3-phenyl-5-[[(1S,5R)-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,2,4-oxadiazole
CID 72941255
(1R,5S)-6-(cyclobutylmethyl)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133115319
4-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline
CID 72852115

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 70770891) is 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(CN2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)n1.
What is the InChIKey of 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is RSBFNEMFKRUREQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21F3N4O/c16-15(17,18)14-19-13(23-20-14)9-21-5-11-3-4-12(8-21)22(7-11)6-10-1-2-10/h10-12H,1-9H2/t11-,12+/m0/s1.
What are the key properties of 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 330.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 70770891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).