4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol

C96H97N15O13 — CID 163926300

IUPAC4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC1CCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1.Nc1ccc(-c2nc(-c3ccc(OC4CCCC4)cc3)no2)cc1.Nc1ccc(-c2nc(-c3ccc(OC4CCOC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(NC4CCNCC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC4CCNCC4)cc3)no2)cc1
InChIInChI=1S/C21H22N2O3.C19H20N4O2.C19H19N3O3.C19H19N3O2.C18H17N3O3/c1-14-2-10-18(11-3-14)25-19-12-6-15(7-13-19)20-22-21(26-23-20)16-4-8-17(24)9-5-16;24-17-7-3-14(4-8-17)19-22-18(23-25-19)13-1-5-15(6-2-13)21-16-9-11-20-12-10-16;23-15-5-1-14(2-6-15)19-21-18(22-25-19)13-3-7-16(8-4-13)24-17-9-11-20-12-10-17;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;19-14-5-1-13(2-6-14)18-20-17(21-24-18)12-3-7-15(8-4-12)23-16-9-10-22-11-16/h4-9,12-14,18,24H,2-3,10-11H2,1H3;1-8,16,20-21,24H,9-12H2;1-8,17,20,23H,9-12H2;5-12,16H,1-4,20H2;1-8,16H,9-11,19H2
InChIKeyRETLRLHXRAYXNT-UHFFFAOYSA-N
MW1668.92 g/mol
LogP19.04
Rot. Bonds20

About 4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol

4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 163926300) has the molecular formula C96H97N15O13 and a molecular weight of 1668.92 g/mol. Its IUPAC name is 4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID163926300
Molecular FormulaC96H97N15O13
Molecular Weight1668.92 g/mol
Exact Mass1667.74
IUPAC Name4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC1CCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1.Nc1ccc(-c2nc(-c3ccc(OC4CCCC4)cc3)no2)cc1.Nc1ccc(-c2nc(-c3ccc(OC4CCOC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(NC4CCNCC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC4CCNCC4)cc3)no2)cc1
InChIInChI=1S/C21H22N2O3.C19H20N4O2.C19H19N3O3.C19H19N3O2.C18H17N3O3/c1-14-2-10-18(11-3-14)25-19-12-6-15(7-13-19)20-22-21(26-23-20)16-4-8-17(24)9-5-16;24-17-7-3-14(4-8-17)19-22-18(23-25-19)13-1-5-15(6-2-13)21-16-9-11-20-12-10-16;23-15-5-1-14(2-6-15)19-21-18(22-25-19)13-3-7-16(8-4-13)24-17-9-11-20-12-10-17;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;19-14-5-1-13(2-6-14)18-20-17(21-24-18)12-3-7-15(8-4-12)23-16-9-10-22-11-16/h4-9,12-14,18,24H,2-3,10-11H2,1H3;1-8,16,20-21,24H,9-12H2;1-8,17,20,23H,9-12H2;5-12,16H,1-4,20H2;1-8,16H,9-11,19H2
InChIKeyRETLRLHXRAYXNT-UHFFFAOYSA-N
XLogP19.04
TPSA389.57 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001668.92
LogP ≤ 519.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-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-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 163926300) is 4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is CC1CCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1.Nc1ccc(-c2nc(-c3ccc(OC4CCCC4)cc3)no2)cc1.Nc1ccc(-c2nc(-c3ccc(OC4CCOC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(NC4CCNCC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC4CCNCC4)cc3)no2)cc1.
What is the InChIKey of 4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is RETLRLHXRAYXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.C19H20N4O2.C19H19N3O3.C19H19N3O2.C18H17N3O3/c1-14-2-10-18(11-3-14)25-19-12-6-15(7-13-19)20-22-21(26-23-20)16-4-8-17(24)9-5-16;24-17-7-3-14(4-8-17)19-22-18(23-25-19)13-1-5-15(6-2-13)21-16-9-11-20-12-10-16;23-15-5-1-14(2-6-15)19-21-18(22-25-19)13-3-7-16(8-4-13)24-17-9-11-20-12-10-17;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;19-14-5-1-13(2-6-14)18-20-17(21-24-18)12-3-7-15(8-4-12)23-16-9-10-22-11-16/h4-9,12-14,18,24H,2-3,10-11H2,1H3;1-8,16,20-21,24H,9-12H2;1-8,17,20,23H,9-12H2;5-12,16H,1-4,20H2;1-8,16H,9-11,19H2.
What are the key properties of 4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 1668.92 g/mol, XLogP of 19.04, 20 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(4-methylcyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(oxolan-3-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 163926300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).