5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole

C15H19FN2O2 — CID 146150034

IUPAC5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole
SMILESFC1CC2(C1)CC(c1nc([C@@H]3C[C@@H]4CC[C@H]3O4)no1)C2
InChIInChI=1S/C15H19FN2O2/c16-9-6-15(7-9)4-8(5-15)14-17-13(18-20-14)11-3-10-1-2-12(11)19-10/h8-12H,1-7H2/t8?,9?,10-,11+,12+,15?/m0/s1
InChIKeySKQAQYBEKSDIQM-ORKVQAESSA-N
MW278.33 g/mol
LogP3.10
Rot. Bonds2

About 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole

5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole (PubChem CID 146150034) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole
PubChem CID146150034
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole
SMILESFC1CC2(C1)CC(c1nc([C@@H]3C[C@@H]4CC[C@H]3O4)no1)C2
InChIInChI=1S/C15H19FN2O2/c16-9-6-15(7-9)4-8(5-15)14-17-13(18-20-14)11-3-10-1-2-12(11)19-10/h8-12H,1-7H2/t8?,9?,10-,11+,12+,15?/m0/s1
InChIKeySKQAQYBEKSDIQM-ORKVQAESSA-N
XLogP3.10
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106525179
(3S,5S)-5-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912307
5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
CID 107070929
3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200548
5-(azetidin-3-ylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
CID 64611878
5-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136770765
2-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798498
3-(1-methylpiperazin-2-yl)-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957013
3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540138
5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
CID 83070366
4-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106525202
4-bromo-2-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136871125

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole (CID 146150034) is 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole is FC1CC2(C1)CC(c1nc([C@@H]3C[C@@H]4CC[C@H]3O4)no1)C2.
What is the InChIKey of 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole?
The InChIKey is SKQAQYBEKSDIQM-ORKVQAESSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-9-6-15(7-9)4-8(5-15)14-17-13(18-20-14)11-3-10-1-2-12(11)19-10/h8-12H,1-7H2/t8?,9?,10-,11+,12+,15?/m0/s1.
What are the key properties of 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole?
5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole has a molecular weight of 278.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 146150034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).