N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide

C19H17F5N4O3 — CID 138598484

IUPACN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide
SMILESO=C1c2cc(-c3nnc(C(F)F)o3)ccc2CN1[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C19H17F5N4O3/c20-14(21)16-27-26-15(31-16)9-5-6-10-8-28(17(29)11(10)7-9)13-4-2-1-3-12(13)25-18(30)19(22,23)24/h5-7,12-14H,1-4,8H2,(H,25,30)/t12-,13-/m1/s1
InChIKeyZCLXFMFDTBOPBM-CHWSQXEVSA-N
MW444.36 g/mol
LogP3.62
Rot. Bonds4

About N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide

N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 138598484) has the molecular formula C19H17F5N4O3 and a molecular weight of 444.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID138598484
Molecular FormulaC19H17F5N4O3
Molecular Weight444.36 g/mol
Exact Mass444.12
IUPAC NameN-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide
SMILESO=C1c2cc(-c3nnc(C(F)F)o3)ccc2CN1[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C19H17F5N4O3/c20-14(21)16-27-26-15(31-16)9-5-6-10-8-28(17(29)11(10)7-9)13-4-2-1-3-12(13)25-18(30)19(22,23)24/h5-7,12-14H,1-4,8H2,(H,25,30)/t12-,13-/m1/s1
InChIKeyZCLXFMFDTBOPBM-CHWSQXEVSA-N
XLogP3.62
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide (CID 138598484) is N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide is O=C1c2cc(-c3nnc(C(F)F)o3)ccc2CN1[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)F.
What is the InChIKey of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZCLXFMFDTBOPBM-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H17F5N4O3/c20-14(21)16-27-26-15(31-16)9-5-6-10-8-28(17(29)11(10)7-9)13-4-2-1-3-12(13)25-18(30)19(22,23)24/h5-7,12-14H,1-4,8H2,(H,25,30)/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide?
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 444.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 138598484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).