[1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate

C24H19Cl2F6N3O4S — CID 118035719

IUPAC[1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)Oc1sc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2c1CCC2
InChIInChI=1S/C24H19Cl2F6N3O4S/c25-12-6-11(7-13(26)8-12)22(24(30,31)32)9-17(34-39-22)18-14-2-1-3-15(14)20(40-18)38-21(37)33-16-4-5-35(19(16)36)10-23(27,28)29/h6-8,16H,1-5,9-10H2,(H,33,37)
InChIKeyIUNCCPGRXBEZFD-UHFFFAOYSA-N
MW630.39 g/mol
LogP6.38
Rot. Bonds5

About [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate

[1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate (PubChem CID 118035719) has the molecular formula C24H19Cl2F6N3O4S and a molecular weight of 630.39 g/mol. Its IUPAC name is [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name[1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
PubChem CID118035719
Molecular FormulaC24H19Cl2F6N3O4S
Molecular Weight630.39 g/mol
Exact Mass629.04
IUPAC Name[1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)Oc1sc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2c1CCC2
InChIInChI=1S/C24H19Cl2F6N3O4S/c25-12-6-11(7-13(26)8-12)22(24(30,31)32)9-17(34-39-22)18-14-2-1-3-15(14)20(40-18)38-21(37)33-16-4-5-35(19(16)36)10-23(27,28)29/h6-8,16H,1-5,9-10H2,(H,33,37)
InChIKeyIUNCCPGRXBEZFD-UHFFFAOYSA-N
XLogP6.38
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.39
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate (CID 118035719) is [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate is O=C(NC1CCN(CC(F)(F)F)C1=O)Oc1sc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2c1CCC2.
What is the InChIKey of [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate?
The InChIKey is IUNCCPGRXBEZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F6N3O4S/c25-12-6-11(7-13(26)8-12)22(24(30,31)32)9-17(34-39-22)18-14-2-1-3-15(14)20(40-18)38-21(37)33-16-4-5-35(19(16)36)10-23(27,28)29/h6-8,16H,1-5,9-10H2,(H,33,37).
What are the key properties of [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate?
[1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate has a molecular weight of 630.39 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophen-3-yl] N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 118035719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).