2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

C21H23FN4O2 — CID 95618273

IUPAC2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCc1noc(C)c1CN1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C21H23FN4O2/c1-13-17(14(2)28-25-13)12-26-8-6-21(7-9-26)11-18(21)20-24-23-19(27-20)15-4-3-5-16(22)10-15/h3-5,10,18H,6-9,11-12H2,1-2H3/t18-/m0/s1
InChIKeyQOSLJOPJEUQTFH-SFHVURJKSA-N
MW382.44 g/mol
LogP4.25
Rot. Bonds4

About 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 95618273) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID95618273
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCc1noc(C)c1CN1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C21H23FN4O2/c1-13-17(14(2)28-25-13)12-26-8-6-21(7-9-26)11-18(21)20-24-23-19(27-20)15-4-3-5-16(22)10-15/h3-5,10,18H,6-9,11-12H2,1-2H3/t18-/m0/s1
InChIKeyQOSLJOPJEUQTFH-SFHVURJKSA-N
XLogP4.25
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
CID 95618262
4-[[(2R)-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-azaspiro[2.5]octan-6-yl]methyl]benzonitrile
CID 95618274
2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 95617807
2-[(2R)-6-butylsulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 95618341
2-[(2R)-6-(1,2-dimethylimidazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 95618131
2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 95618195
2-[(2R)-6-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 95617827
2-[6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 56803976
4-[[(3aR,7aR)-2-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124834944
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 75527446
4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 39975553
2-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56820809

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 95618273) is 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is Cc1noc(C)c1CN1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is QOSLJOPJEUQTFH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13-17(14(2)28-25-13)12-26-8-6-21(7-9-26)11-18(21)20-24-23-19(27-20)15-4-3-5-16(22)10-15/h3-5,10,18H,6-9,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 382.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 95618273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).