6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone

C17H15F3N2O3 — CID 166280582

IUPAC6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCC2CC1CO2
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)11-3-1-2-10(6-11)15-14(21-9-25-15)16(23)22-5-4-13-7-12(22)8-24-13/h1-3,6,9,12-13H,4-5,7-8H2
InChIKeyZCUVKHOEXWIHPZ-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.36
Rot. Bonds2

About 6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone

6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone (PubChem CID 166280582) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone
PubChem CID166280582
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone
SMILESO=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCC2CC1CO2
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)11-3-1-2-10(6-11)15-14(21-9-25-15)16(23)22-5-4-13-7-12(22)8-24-13/h1-3,6,9,12-13H,4-5,7-8H2
InChIKeyZCUVKHOEXWIHPZ-UHFFFAOYSA-N
XLogP3.36
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 2739543
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 155956161
[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 100663465
acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
CID 155972389
cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
CID 155914793
(3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 51493997
N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 42645554
[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 3232247
[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 136535330
(5-propan-2-yl-1H-pyrazol-3-yl)-[(2R)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92580782
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950720
(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 68591523

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of 6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone (CID 166280582) is 6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for 6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for 6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone is O=C(c1ncoc1-c1cccc(C(F)(F)F)c1)N1CCC2CC1CO2.
What is the InChIKey of 6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is ZCUVKHOEXWIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)11-3-1-2-10(6-11)15-14(21-9-25-15)16(23)22-5-4-13-7-12(22)8-24-13/h1-3,6,9,12-13H,4-5,7-8H2.
What are the key properties of 6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone?
6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 352.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 166280582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).