2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile

C88H95Cl4FN10O7 — CID 158402694

IUPAC2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile
SMILESCC(C)c1cc(F)c(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cn1.CC(C)c1ccc2oc(C3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)nc2c1.CC(C)c1cnc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cn1.CC(C)c1cnc(C2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)n1C
InChIInChI=1S/C23H24ClFN2O2.C23H23ClN2O2.C22H24ClN3O2.C20H24ClN3O/c1-14(2)22-11-21(25)19(13-27-22)23(28)9-15-3-6-17(7-4-15)29-18-8-5-16(12-26)20(24)10-18;1-14(2)16-6-10-22-21(11-16)26-23(28-22)15-3-7-18(8-4-15)27-19-9-5-17(13-25)20(24)12-19;1-14(2)20-12-26-21(13-25-20)22(27)9-15-3-6-17(7-4-15)28-18-8-5-16(11-24)19(23)10-18;1-13(2)19-12-23-20(24(19)3)14-4-7-16(8-5-14)25-17-9-6-15(11-22)18(21)10-17/h5,8,10-11,13-15,17H,3-4,6-7,9H2,1-2H3;5-6,9-12,14-15,18H,3-4,7-8H2,1-2H3;5,8,10,12-15,17H,3-4,6-7,9H2,1-2H3;6,9-10,12-14,16H,4-5,7-8H2,1-3H3
InChIKeyGYHKGVUZUIHNMS-UHFFFAOYSA-N
MW1565.60 g/mol
LogP23.17
Rot. Bonds20

About 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile

2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile (PubChem CID 158402694) has the molecular formula C88H95Cl4FN10O7 and a molecular weight of 1565.60 g/mol. Its IUPAC name is 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile.

Molecular Properties

Compound Name2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile
PubChem CID158402694
Molecular FormulaC88H95Cl4FN10O7
Molecular Weight1565.60 g/mol
Exact Mass1562.61
IUPAC Name2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile
SMILESCC(C)c1cc(F)c(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cn1.CC(C)c1ccc2oc(C3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)nc2c1.CC(C)c1cnc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cn1.CC(C)c1cnc(C2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)n1C
InChIInChI=1S/C23H24ClFN2O2.C23H23ClN2O2.C22H24ClN3O2.C20H24ClN3O/c1-14(2)22-11-21(25)19(13-27-22)23(28)9-15-3-6-17(7-4-15)29-18-8-5-16(12-26)20(24)10-18;1-14(2)16-6-10-22-21(11-16)26-23(28-22)15-3-7-18(8-4-15)27-19-9-5-17(13-25)20(24)12-19;1-14(2)20-12-26-21(13-25-20)22(27)9-15-3-6-17(7-4-15)28-18-8-5-16(11-24)19(23)10-18;1-13(2)19-12-23-20(24(19)3)14-4-7-16(8-5-14)25-17-9-6-15(11-22)18(21)10-17/h5,8,10-11,13-15,17H,3-4,6-7,9H2,1-2H3;5-6,9-12,14-15,18H,3-4,7-8H2,1-2H3;5,8,10,12-15,17H,3-4,6-7,9H2,1-2H3;6,9-10,12-14,16H,4-5,7-8H2,1-3H3
InChIKeyGYHKGVUZUIHNMS-UHFFFAOYSA-N
XLogP23.17
TPSA248.74 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001565.60
LogP ≤ 523.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile with MolForge

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Related Compounds

2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile
CID 157403434
2-chloro-4-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(6-propan-2-ylpyridazin-3-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-yl-2-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile
CID 157465494
2-chloro-4-[4-(1-methyl-5-sulfanylimidazol-2-yl)cyclohexyl]oxybenzonitrile
CID 134413709
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985768
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide
CID 135296500
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
4-[4-(2-bromoacetyl)cyclohexyl]oxy-2-chlorobenzonitrile
CID 134441275
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide
CID 169022571
2-chloro-4-[4-(1-methylpyrazol-3-yl)cyclohexyl]oxybenzonitrile
CID 134413704
4-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120564823
2-chloro-4-[[6-(4-propan-2-ylbenzoyl)-6-azaspiro[3.5]nonan-9-yl]oxy]benzonitrile
CID 162438779

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile?
The IUPAC name of 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile (CID 158402694) is 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile.
What is the SMILES notation for 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile?
The canonical SMILES for 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile is CC(C)c1cc(F)c(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cn1.CC(C)c1ccc2oc(C3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)nc2c1.CC(C)c1cnc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cn1.CC(C)c1cnc(C2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)n1C.
What is the InChIKey of 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile?
The InChIKey is GYHKGVUZUIHNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O2.C23H23ClN2O2.C22H24ClN3O2.C20H24ClN3O/c1-14(2)22-11-21(25)19(13-27-22)23(28)9-15-3-6-17(7-4-15)29-18-8-5-16(12-26)20(24)10-18;1-14(2)16-6-10-22-21(11-16)26-23(28-22)15-3-7-18(8-4-15)27-19-9-5-17(13-25)20(24)12-19;1-14(2)20-12-26-21(13-25-20)22(27)9-15-3-6-17(7-4-15)28-18-8-5-16(11-24)19(23)10-18;1-13(2)19-12-23-20(24(19)3)14-4-7-16(8-5-14)25-17-9-6-15(11-22)18(21)10-17/h5,8,10-11,13-15,17H,3-4,6-7,9H2,1-2H3;5-6,9-12,14-15,18H,3-4,7-8H2,1-2H3;5,8,10,12-15,17H,3-4,6-7,9H2,1-2H3;6,9-10,12-14,16H,4-5,7-8H2,1-3H3.
What are the key properties of 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile?
2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile has a molecular weight of 1565.60 g/mol, XLogP of 23.17, 20 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[2-(4-fluoro-6-propan-2-yl-3-pyridinyl)-2-oxoethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrazin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)cyclohexyl]oxybenzonitrile is sourced from PubChem (CID 158402694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).