N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide

C26H17F10N3O2 — CID 156513617

IUPACN-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
SMILESCc1cc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3F)(C(F)(F)F)C2)ccc1C(=O)NC12CC(C#N)(C1)C2
InChIInChI=1S/C26H17F10N3O2/c1-12-4-13(2-3-15(12)20(40)38-22-8-21(9-22,10-22)11-37)18-7-23(41-39-18,26(34,35)36)16-5-14(24(28,29)30)6-17(19(16)27)25(31,32)33/h2-6H,7-10H2,1H3,(H,38,40)
InChIKeyURQNZXXYVULXTH-UHFFFAOYSA-N
MW593.42 g/mol
LogP6.93
Rot. Bonds4

About N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide

N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide (PubChem CID 156513617) has the molecular formula C26H17F10N3O2 and a molecular weight of 593.42 g/mol. Its IUPAC name is N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
PubChem CID156513617
Molecular FormulaC26H17F10N3O2
Molecular Weight593.42 g/mol
Exact Mass593.12
IUPAC NameN-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
SMILESCc1cc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3F)(C(F)(F)F)C2)ccc1C(=O)NC12CC(C#N)(C1)C2
InChIInChI=1S/C26H17F10N3O2/c1-12-4-13(2-3-15(12)20(40)38-22-8-21(9-22,10-22)11-37)18-7-23(41-39-18,26(34,35)36)16-5-14(24(28,29)30)6-17(19(16)27)25(31,32)33/h2-6H,7-10H2,1H3,(H,38,40)
InChIKeyURQNZXXYVULXTH-UHFFFAOYSA-N
XLogP6.93
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.42
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide 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

4-[5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(1-cyanocyclopropyl)methyl]-2-methylbenzamide
CID 156532412
CID 166529349
CID 166529349
4-[(5S)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide
CID 159280292
4-[(5S)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2,2-difluoropropylamino)-2-oxoethyl]-2-methylbenzamide
CID 178083570
4-[5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3,3-difluorocyclobutyl)methyl]-2-methylbenzamide
CID 178083452
4-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[3-(trifluoromethyl)cyclobutyl]benzamide
CID 156532408
N'-[3,5-bis(trifluoromethyl)benzoyl]-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzohydrazide
CID 163288345
4-[5-(3,5-dichloro-4-cyanophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid
CID 67246928
2-methyl-N-(3-methylthietan-3-yl)-4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzamide
CID 89419815
4-[5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]-N-(3-cyanocyclobutyl)-2-methylbenzamide
CID 159276741
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methylcarbamoyl]benzamide
CID 178068313
4-[(6R)-6-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-4,5-dihydrooxazin-3-yl]-2-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)benzamide
CID 158375388

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide (CID 156513617) is N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide is Cc1cc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3F)(C(F)(F)F)C2)ccc1C(=O)NC12CC(C#N)(C1)C2.
What is the InChIKey of N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide?
The InChIKey is URQNZXXYVULXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F10N3O2/c1-12-4-13(2-3-15(12)20(40)38-22-8-21(9-22,10-22)11-37)18-7-23(41-39-18,26(34,35)36)16-5-14(24(28,29)30)6-17(19(16)27)25(31,32)33/h2-6H,7-10H2,1H3,(H,38,40).
What are the key properties of N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide?
N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide has a molecular weight of 593.42 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-bicyclo[1.1.1]pentanyl)-4-[5-[2-fluoro-3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 156513617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).