6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one

C22H19F3N4O3 — CID 138597958

IUPAC6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one
SMILESO=C1c2cc(-c3nnc(C(F)F)o3)ccc2CN1C1CCCCC1Oc1cncc(F)c1
InChIInChI=1S/C22H19F3N4O3/c23-14-8-15(10-26-9-14)31-18-4-2-1-3-17(18)29-11-13-6-5-12(7-16(13)22(29)30)20-27-28-21(32-20)19(24)25/h5-10,17-19H,1-4,11H2
InChIKeyNSQMTEXKTYUBOM-UHFFFAOYSA-N
MW444.41 g/mol
LogP4.55
Rot. Bonds5

About 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one

6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one (PubChem CID 138597958) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one
PubChem CID138597958
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC Name6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one
SMILESO=C1c2cc(-c3nnc(C(F)F)o3)ccc2CN1C1CCCCC1Oc1cncc(F)c1
InChIInChI=1S/C22H19F3N4O3/c23-14-8-15(10-26-9-14)31-18-4-2-1-3-17(18)29-11-13-6-5-12(7-16(13)22(29)30)20-27-28-21(32-20)19(24)25/h5-10,17-19H,1-4,11H2
InChIKeyNSQMTEXKTYUBOM-UHFFFAOYSA-N
XLogP4.55
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl] azetidine-1-carboxylate
CID 137472531
[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl] azetidine-1-carboxylate
CID 138597810
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[(1R,2R)-2-(2-oxopiperidin-1-yl)cyclohexyl]-3H-isoindol-1-one
CID 137472615
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
N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]cyclohexanecarboxamide
CID 162611429
tert-butyl N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]carbamate
CID 137472305
N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-2,2,3,3,3-pentafluoropropanamide
CID 162611446
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]oxane-4-carboxamide
CID 138597976
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]-4,4-difluorobutanamide
CID 138598035
2-[(1R)-3,3-difluorocyclohexyl]-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3H-isoindol-1-one
CID 138626005
4-chloro-N-[(1R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]benzamide
CID 162611440
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(3R,4R)-4-(3-fluorophenoxy)oxan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 138625836

Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one?
The IUPAC name of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one (CID 138597958) is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one?
The canonical SMILES for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one is O=C1c2cc(-c3nnc(C(F)F)o3)ccc2CN1C1CCCCC1Oc1cncc(F)c1.
What is the InChIKey of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one?
The InChIKey is NSQMTEXKTYUBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c23-14-8-15(10-26-9-14)31-18-4-2-1-3-17(18)29-11-13-6-5-12(7-16(13)22(29)30)20-27-28-21(32-20)19(24)25/h5-10,17-19H,1-4,11H2.
What are the key properties of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one?
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one has a molecular weight of 444.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[(5-fluoro-3-pyridinyl)oxy]cyclohexyl]-3H-isoindol-1-one is sourced from PubChem (CID 138597958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).