[3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone

C24H17Cl2F7N2O3S — CID 87127219

IUPAC[3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone
SMILESO=C(C1CS(=O)C1)N1CC(F)(c2ccc(C3=NOC(c4cc(Cl)c(Cl)c(C(F)(F)F)c4)(C(F)(F)F)C3)cc2)C1
InChIInChI=1S/C24H17Cl2F7N2O3S/c25-17-6-15(5-16(19(17)26)23(28,29)30)22(24(31,32)33)7-18(34-38-22)12-1-3-14(4-2-12)21(27)10-35(11-21)20(36)13-8-39(37)9-13/h1-6,13H,7-11H2
InChIKeyQIWLTNDKVBULTE-UHFFFAOYSA-N
MW617.37 g/mol
LogP5.98
Rot. Bonds4

About [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone

[3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone (PubChem CID 87127219) has the molecular formula C24H17Cl2F7N2O3S and a molecular weight of 617.37 g/mol. Its IUPAC name is [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone
PubChem CID87127219
Molecular FormulaC24H17Cl2F7N2O3S
Molecular Weight617.37 g/mol
Exact Mass616.02
IUPAC Name[3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone
SMILESO=C(C1CS(=O)C1)N1CC(F)(c2ccc(C3=NOC(c4cc(Cl)c(Cl)c(C(F)(F)F)c4)(C(F)(F)F)C3)cc2)C1
InChIInChI=1S/C24H17Cl2F7N2O3S/c25-17-6-15(5-16(19(17)26)23(28,29)30)22(24(31,32)33)7-18(34-38-22)12-1-3-14(4-2-12)21(27)10-35(11-21)20(36)13-8-39(37)9-13/h1-6,13H,7-11H2
InChIKeyQIWLTNDKVBULTE-UHFFFAOYSA-N
XLogP5.98
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.37
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-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

Frequently Asked Questions

What is the IUPAC name of [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone?
The IUPAC name of [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone (CID 87127219) is [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone.
What is the SMILES notation for [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone?
The canonical SMILES for [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone is O=C(C1CS(=O)C1)N1CC(F)(c2ccc(C3=NOC(c4cc(Cl)c(Cl)c(C(F)(F)F)c4)(C(F)(F)F)C3)cc2)C1.
What is the InChIKey of [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone?
The InChIKey is QIWLTNDKVBULTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F7N2O3S/c25-17-6-15(5-16(19(17)26)23(28,29)30)22(24(31,32)33)7-18(34-38-22)12-1-3-14(4-2-12)21(27)10-35(11-21)20(36)13-8-39(37)9-13/h1-6,13H,7-11H2.
What are the key properties of [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone?
[3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone has a molecular weight of 617.37 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1-oxothietan-3-yl)methanone is sourced from PubChem (CID 87127219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).