1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide

C86H80Cl5F2N7O13 — CID 159360679

IUPAC1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide
SMILESCc1cc(OCC(=O)CC23CC(NC(=O)c4cccc(C#N)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(Nc4nc5cc(Cl)ccc5o4)(C2)C3)ccc1Cl.Cc1cccnc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ccoc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
InChIInChI=1S/C23H21ClN2O3.C22H20Cl2N2O3.C21H20ClFN2O3.C20H19ClFNO4/c1-15-7-19(5-6-20(15)24)29-11-18(27)9-22-12-23(13-22,14-22)26-21(28)17-4-2-3-16(8-17)10-25;1-13-6-16(3-4-17(13)24)28-9-15(27)8-21-10-22(11-21,12-21)26-20-25-18-7-14(23)2-5-19(18)29-20;1-13-3-2-6-24-19(13)17(26)8-20-10-21(11-20,12-20)25-18(27)9-28-14-4-5-15(22)16(23)7-14;1-12-4-5-26-18(12)16(24)7-19-9-20(10-19,11-19)23-17(25)8-27-13-2-3-14(21)15(22)6-13/h2-8H,9,11-14H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,26);2-7H,8-12H2,1H3,(H,25,27);2-6H,7-11H2,1H3,(H,23,25)
InChIKeyLIMPJUAFUVZMSI-UHFFFAOYSA-N
MW1634.88 g/mol
LogP17.97
Rot. Bonds28

About 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide

1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide (PubChem CID 159360679) has the molecular formula C86H80Cl5F2N7O13 and a molecular weight of 1634.88 g/mol. Its IUPAC name is 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide.

Molecular Properties

Compound Name1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide
PubChem CID159360679
Molecular FormulaC86H80Cl5F2N7O13
Molecular Weight1634.88 g/mol
Exact Mass1631.42
IUPAC Name1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide
SMILESCc1cc(OCC(=O)CC23CC(NC(=O)c4cccc(C#N)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(Nc4nc5cc(Cl)ccc5o4)(C2)C3)ccc1Cl.Cc1cccnc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ccoc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
InChIInChI=1S/C23H21ClN2O3.C22H20Cl2N2O3.C21H20ClFN2O3.C20H19ClFNO4/c1-15-7-19(5-6-20(15)24)29-11-18(27)9-22-12-23(13-22,14-22)26-21(28)17-4-2-3-16(8-17)10-25;1-13-6-16(3-4-17(13)24)28-9-15(27)8-21-10-22(11-21,12-21)26-20-25-18-7-14(23)2-5-19(18)29-20;1-13-3-2-6-24-19(13)17(26)8-20-10-21(11-20,12-20)25-18(27)9-28-14-4-5-15(22)16(23)7-14;1-12-4-5-26-18(12)16(24)7-19-9-20(10-19,11-19)23-17(25)8-27-13-2-3-14(21)15(22)6-13/h2-8H,9,11-14H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,26);2-7H,8-12H2,1H3,(H,25,27);2-6H,7-11H2,1H3,(H,23,25)
InChIKeyLIMPJUAFUVZMSI-UHFFFAOYSA-N
XLogP17.97
TPSA280.38 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001634.88
LogP ≤ 517.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 165019725

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide?
The IUPAC name of 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide (CID 159360679) is 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide.
What is the SMILES notation for 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide?
The canonical SMILES for 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide is Cc1cc(OCC(=O)CC23CC(NC(=O)c4cccc(C#N)c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(Nc4nc5cc(Cl)ccc5o4)(C2)C3)ccc1Cl.Cc1cccnc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ccoc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.
What is the InChIKey of 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide?
The InChIKey is LIMPJUAFUVZMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3.C22H20Cl2N2O3.C21H20ClFN2O3.C20H19ClFNO4/c1-15-7-19(5-6-20(15)24)29-11-18(27)9-22-12-23(13-22,14-22)26-21(28)17-4-2-3-16(8-17)10-25;1-13-6-16(3-4-17(13)24)28-9-15(27)8-21-10-22(11-21,12-21)26-20-25-18-7-14(23)2-5-19(18)29-20;1-13-3-2-6-24-19(13)17(26)8-20-10-21(11-20,12-20)25-18(27)9-28-14-4-5-15(22)16(23)7-14;1-12-4-5-26-18(12)16(24)7-19-9-20(10-19,11-19)23-17(25)8-27-13-2-3-14(21)15(22)6-13/h2-8H,9,11-14H2,1H3,(H,26,28);2-7H,8-12H2,1H3,(H,25,26);2-7H,8-12H2,1H3,(H,25,27);2-6H,7-11H2,1H3,(H,23,25).
What are the key properties of 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide?
1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide has a molecular weight of 1634.88 g/mol, XLogP of 17.97, 28 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-(4-chloro-3-methylphenoxy)propan-2-one;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-2-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-cyanobenzamide is sourced from PubChem (CID 159360679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).