[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C24H22F3N3O2 — CID 147997850

IUPAC[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1cccc(C(=O)N2C3CCC2C(Cc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1
InChIInChI=1S/C24H22F3N3O2/c1-14-3-2-4-19(21(14)22-28-9-10-32-22)23(31)30-18-7-8-20(30)15(12-18)11-17-6-5-16(13-29-17)24(25,26)27/h2-6,9-10,13,15,18,20H,7-8,11-12H2,1H3
InChIKeyIWIWRYGUQCKHKK-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.30
Rot. Bonds4

About [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 147997850) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID147997850
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1cccc(C(=O)N2C3CCC2C(Cc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1
InChIInChI=1S/C24H22F3N3O2/c1-14-3-2-4-19(21(14)22-28-9-10-32-22)23(31)30-18-7-8-20(30)15(12-18)11-17-6-5-16(13-29-17)24(25,26)27/h2-6,9-10,13,15,18,20H,7-8,11-12H2,1H3
InChIKeyIWIWRYGUQCKHKK-UHFFFAOYSA-N
XLogP5.30
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[2-(trifluoromethyl)phenyl]heptan-1-one
CID 16736219
[6-[(5-Fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-[5-methyl-2-(1,3-oxazol-2-yl)phenyl]methanone
CID 46199309
[2-(4,6-Dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone
CID 67116223
US9586962, Example 491
CID 69938806
[2-(4,6-Dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone
CID 69938973
[2-(4,6-Dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone
CID 69939433
2-(5-Fluoro-4-methylpyrimidin-2-yl)-5-{[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole
CID 70981286
[3-Methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86271975
[6-Methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411208
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
CID 90411925
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone
CID 90411996

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 147997850) is [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1cccc(C(=O)N2C3CCC2C(Cc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1.
What is the InChIKey of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is IWIWRYGUQCKHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-14-3-2-4-19(21(14)22-28-9-10-32-22)23(31)30-18-7-8-20(30)15(12-18)11-17-6-5-16(13-29-17)24(25,26)27/h2-6,9-10,13,15,18,20H,7-8,11-12H2,1H3.
What are the key properties of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 441.45 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 147997850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).