tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

C90H90Cl2F2N14O13 — CID 159438431

About tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 159438431) has the molecular formula C90H90Cl2F2N14O13 and a molecular weight of 1684.70 g/mol. Its IUPAC name is tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
• PubChem CID: 159438431
• Molecular Formula: C90H90Cl2F2N14O13
• Molecular Weight: 1684.70 g/mol
• Exact Mass: 1682.62
• IUPAC Name: tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
• SMILES: CC(C)(C)OC(=O)N1CCC(CCCOc2cccc3onc(Nc4cccnc4)c23)CC1.O=C(CN1CCCCC1)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.O=C(CN1CCOCC1)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.c1ccc(-c2cc(COc3cccc4onc(Nc5cccnc5)c34)ccn2)cc1
• InChI: InChI=1S/C25H32N4O4.C24H18N4O2.C21H21ClFN3O3.C20H19ClFN3O4/c1-25(2,3)32-24(30)29-14-11-18(12-15-29)7-6-16-31-20-9-4-10-21-22(20)23(28-33-21)27-19-8-5-13-26-17-19;1-2-6-18(7-3-1)20-14-17(11-13-26-20)16-29-21-9-4-10-22-23(21)24(28-30-22)27-19-8-5-12-25-15-19;22-16-8-7-15(23)11-14(16)13-28-17-5-4-6-18-20(17)21(25-29-18)24-19(27)12-26-9-2-1-3-10-26;21-15-5-4-14(22)10-13(15)12-28-16-2-1-3-17-19(16)20(24-29-17)23-18(26)11-25-6-8-27-9-7-25/h4-5,8-10,13,17-18H,6-7,11-12,14-16H2,1-3H3,(H,27,28);1-15H,16H2,(H,27,28);4-8,11H,1-3,9-10,12-13H2,(H,24,25,27);1-5,10H,6-9,11-12H2,(H,23,24,26)
• InChIKey: LRWFWYLYQZZHSI-UHFFFAOYSA-N
• XLogP: 19.47
• TPSA: 307.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.70
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?

The IUPAC name of tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 159438431) is tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

What is the SMILES notation for tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?

The canonical SMILES for tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is CC(C)(C)OC(=O)N1CCC(CCCOc2cccc3onc(Nc4cccnc4)c23)CC1.O=C(CN1CCCCC1)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.O=C(CN1CCOCC1)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.c1ccc(-c2cc(COc3cccc4onc(Nc5cccnc5)c34)ccn2)cc1.

What is the InChIKey of tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?

The InChIKey is LRWFWYLYQZZHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4.C24H18N4O2.C21H21ClFN3O3.C20H19ClFN3O4/c1-25(2,3)32-24(30)29-14-11-18(12-15-29)7-6-16-31-20-9-4-10-21-22(20)23(28-33-21)27-19-8-5-13-26-17-19;1-2-6-18(7-3-1)20-14-17(11-13-26-20)16-29-21-9-4-10-22-23(21)24(28-30-22)27-19-8-5-12-25-15-19;22-16-8-7-15(23)11-14(16)13-28-17-5-4-6-18-20(17)21(25-29-18)24-19(27)12-26-9-2-1-3-10-26;21-15-5-4-14(22)10-13(15)12-28-16-2-1-3-17-19(16)20(24-29-17)23-18(26)11-25-6-8-27-9-7-25/h4-5,8-10,13,17-18H,6-7,11-12,14-16H2,1-3H3,(H,27,28);1-15H,16H2,(H,27,28);4-8,11H,1-3,9-10,12-13H2,(H,24,25,27);1-5,10H,6-9,11-12H2,(H,23,24,26).

What are the key properties of tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?

tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 1684.70 g/mol, XLogP of 19.47, 25 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxy]propyl]piperidine-1-carboxylate;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-morpholin-4-ylacetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide;4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 159438431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).