4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol

C86H78F3N13O14 — CID 163606778

IUPAC4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.NC1CCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1.NCCCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.Nc1ccc(-c2nc(-c3ccc(OC4CCCC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1
InChIInChI=1S/C20H21N3O3.C19H19N3O2.C17H17N3O3.C15H9F3N2O3.C15H12N2O3/c21-15-5-11-18(12-6-15)25-17-9-3-13(4-10-17)19-22-20(26-23-19)14-1-7-16(24)8-2-14;20-15-9-5-14(6-10-15)19-21-18(22-24-19)13-7-11-17(12-8-13)23-16-3-1-2-4-16;18-10-1-11-22-15-8-4-12(5-9-15)16-19-17(23-20-16)13-2-6-14(21)7-3-13;16-15(17,18)22-12-7-3-9(4-8-12)13-19-14(23-20-13)10-1-5-11(21)6-2-10;1-19-13-8-4-10(5-9-13)14-16-15(20-17-14)11-2-6-12(18)7-3-11/h1-4,7-10,15,18,24H,5-6,11-12,21H2;5-12,16H,1-4,20H2;2-9,21H,1,10-11,18H2;1-8,21H;2-9,18H,1H3
InChIKeyHCMGGKHHPQOTBY-UHFFFAOYSA-N
MW1574.64 g/mol
LogP18.03
Rot. Bonds20

About 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol

4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 163606778) has the molecular formula C86H78F3N13O14 and a molecular weight of 1574.64 g/mol. Its IUPAC name is 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID163606778
Molecular FormulaC86H78F3N13O14
Molecular Weight1574.64 g/mol
Exact Mass1573.57
IUPAC Name4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.NC1CCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1.NCCCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.Nc1ccc(-c2nc(-c3ccc(OC4CCCC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1
InChIInChI=1S/C20H21N3O3.C19H19N3O2.C17H17N3O3.C15H9F3N2O3.C15H12N2O3/c21-15-5-11-18(12-6-15)25-17-9-3-13(4-10-17)19-22-20(26-23-19)14-1-7-16(24)8-2-14;20-15-9-5-14(6-10-15)19-21-18(22-24-19)13-7-11-17(12-8-13)23-16-3-1-2-4-16;18-10-1-11-22-15-8-4-12(5-9-15)16-19-17(23-20-16)13-2-6-14(21)7-3-13;16-15(17,18)22-12-7-3-9(4-8-12)13-19-14(23-20-13)10-1-5-11(21)6-2-10;1-19-13-8-4-10(5-9-13)14-16-15(20-17-14)11-2-6-12(18)7-3-11/h1-4,7-10,15,18,24H,5-6,11-12,21H2;5-12,16H,1-4,20H2;2-9,21H,1,10-11,18H2;1-8,21H;2-9,18H,1H3
InChIKeyHCMGGKHHPQOTBY-UHFFFAOYSA-N
XLogP18.03
TPSA399.73 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001574.64
LogP ≤ 518.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 163606778) is 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol is COc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.NC1CCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1.NCCCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.Nc1ccc(-c2nc(-c3ccc(OC4CCCC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1.
What is the InChIKey of 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is HCMGGKHHPQOTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.C19H19N3O2.C17H17N3O3.C15H9F3N2O3.C15H12N2O3/c21-15-5-11-18(12-6-15)25-17-9-3-13(4-10-17)19-22-20(26-23-19)14-1-7-16(24)8-2-14;20-15-9-5-14(6-10-15)19-21-18(22-24-19)13-7-11-17(12-8-13)23-16-3-1-2-4-16;18-10-1-11-22-15-8-4-12(5-9-15)16-19-17(23-20-16)13-2-6-14(21)7-3-13;16-15(17,18)22-12-7-3-9(4-8-12)13-19-14(23-20-13)10-1-5-11(21)6-2-10;1-19-13-8-4-10(5-9-13)14-16-15(20-17-14)11-2-6-12(18)7-3-11/h1-4,7-10,15,18,24H,5-6,11-12,21H2;5-12,16H,1-4,20H2;2-9,21H,1,10-11,18H2;1-8,21H;2-9,18H,1H3.
What are the key properties of 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 1574.64 g/mol, XLogP of 18.03, 20 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 163606778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).