6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone

C10H9F3N2O3 — CID 138035908

IUPAC6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1C(F)(F)F)N1CCC12COC2
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)7-6(14-5-18-7)8(16)15-2-1-9(15)3-17-4-9/h5H,1-4H2
InChIKeyFSYIEHAPZNKUOX-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.31
Rot. Bonds1

About 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone

6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 138035908) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
PubChem CID138035908
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1C(F)(F)F)N1CCC12COC2
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)7-6(14-5-18-7)8(16)15-2-1-9(15)3-17-4-9/h5H,1-4H2
InChIKeyFSYIEHAPZNKUOX-UHFFFAOYSA-N
XLogP1.31
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone with MolForge

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Related Compounds

5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 136525273
(5-Methyl-2-propan-2-yl-1,3-oxazol-4-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 137991861
N-(3-amino-2,2-difluoropropyl)-5-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120409769
N-(3-amino-2,2-difluoropropyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 120409770
N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 130667985
(3-Fluoroazetidin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone
CID 130992122
(4-Methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 136555332
4,4,4-trifluoro-1-[(1S,6S)-3-(5-methyl-1,3-oxazole-4-carbonyl)-3,7-diazabicyclo[4.2.0]octan-7-yl]butan-1-one
CID 138809551
1-[(5-Methyl-1,3-oxazol-4-yl)carbonyl]-4-(trifluoromethoxy)piperidine
CID 163314986
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 167780473
N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 58918045
(5-Methyl-1,3-oxazol-4-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 170768152

Frequently Asked Questions

What is the IUPAC name of 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (CID 138035908) is 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is O=C(c1ncoc1C(F)(F)F)N1CCC12COC2.
What is the InChIKey of 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is FSYIEHAPZNKUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)7-6(14-5-18-7)8(16)15-2-1-9(15)3-17-4-9/h5H,1-4H2.
What are the key properties of 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 262.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-1-azaspiro[3.3]heptan-1-yl-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 138035908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).