1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone

C24H20Cl2F4N2O2 — CID 56651298

IUPAC1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone
SMILESO=C(CN1CC(F)(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)C1)C1CC1
InChIInChI=1S/C24H20Cl2F4N2O2/c25-18-7-17(8-19(26)9-18)23(24(28,29)30)10-20(31-34-23)14-3-5-16(6-4-14)22(27)12-32(13-22)11-21(33)15-1-2-15/h3-9,15H,1-2,10-13H2
InChIKeyFKIDSLONSNFEFT-UHFFFAOYSA-N
MW515.33 g/mol
LogP6.04
Rot. Bonds6

About 1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone

1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone (PubChem CID 56651298) has the molecular formula C24H20Cl2F4N2O2 and a molecular weight of 515.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone
PubChem CID56651298
Molecular FormulaC24H20Cl2F4N2O2
Molecular Weight515.33 g/mol
Exact Mass514.08
IUPAC Name1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone
SMILESO=C(CN1CC(F)(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)C1)C1CC1
InChIInChI=1S/C24H20Cl2F4N2O2/c25-18-7-17(8-19(26)9-18)23(24(28,29)30)10-20(31-34-23)14-3-5-16(6-4-14)22(27)12-32(13-22)11-21(33)15-1-2-15/h3-9,15H,1-2,10-13H2
InChIKeyFKIDSLONSNFEFT-UHFFFAOYSA-N
XLogP6.04
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.33
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone (CID 56651298) is 1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone is O=C(CN1CC(F)(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone?
The InChIKey is FKIDSLONSNFEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F4N2O2/c25-18-7-17(8-19(26)9-18)23(24(28,29)30)10-20(31-34-23)14-3-5-16(6-4-14)22(27)12-32(13-22)11-21(33)15-1-2-15/h3-9,15H,1-2,10-13H2.
What are the key properties of 1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone?
1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone has a molecular weight of 515.33 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone is sourced from PubChem (CID 56651298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).