N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine

C76H69Cl4F4N13O11 — CID 157306575

About N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine

N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine (PubChem CID 157306575) has the molecular formula C76H69Cl4F4N13O11 and a molecular weight of 1558.27 g/mol. Its IUPAC name is N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine.

Molecular Properties

• Compound Name: N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine
• PubChem CID: 157306575
• Molecular Formula: C76H69Cl4F4N13O11
• Molecular Weight: 1558.27 g/mol
• Exact Mass: 1555.39
• IUPAC Name: N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine
• SMILES: CCN(CC)CC(=O)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.CN(C)CC(=O)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.Fc1ccc(Cl)c(COc2cccc3onc(Nc4cncnc4)c23)c1.O=C(CN1CCCC1)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12
• InChI: InChI=1S/C20H19ClFN3O3.C20H21ClFN3O3.C18H12ClFN4O2.C18H17ClFN3O3/c21-15-7-6-14(22)10-13(15)12-27-16-4-3-5-17-19(16)20(24-28-17)23-18(26)11-25-8-1-2-9-25;1-3-25(4-2)11-18(26)23-20-19-16(6-5-7-17(19)28-24-20)27-12-13-10-14(22)8-9-15(13)21;19-14-5-4-12(20)6-11(14)9-25-15-2-1-3-16-17(15)18(24-26-16)23-13-7-21-10-22-8-13;1-23(2)9-16(24)21-18-17-14(4-3-5-15(17)26-22-18)25-10-11-8-12(20)6-7-13(11)19/h3-7,10H,1-2,8-9,11-12H2,(H,23,24,26);5-10H,3-4,11-12H2,1-2H3,(H,23,24,26);1-8,10H,9H2,(H,23,24);3-8H,9-10H2,1-2H3,(H,21,22,24)
• InChIKey: BCNUQBJNCQMBCB-UHFFFAOYSA-N
• XLogP: 17.15
• TPSA: 275.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.27
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine?

The IUPAC name of N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine (CID 157306575) is N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine.

What is the SMILES notation for N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine?

The canonical SMILES for N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine is CCN(CC)CC(=O)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.CN(C)CC(=O)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.Fc1ccc(Cl)c(COc2cccc3onc(Nc4cncnc4)c23)c1.O=C(CN1CCCC1)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.

What is the InChIKey of N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine?

The InChIKey is BCNUQBJNCQMBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3.C20H21ClFN3O3.C18H12ClFN4O2.C18H17ClFN3O3/c21-15-7-6-14(22)10-13(15)12-27-16-4-3-5-17-19(16)20(24-28-17)23-18(26)11-25-8-1-2-9-25;1-3-25(4-2)11-18(26)23-20-19-16(6-5-7-17(19)28-24-20)27-12-13-10-14(22)8-9-15(13)21;19-14-5-4-12(20)6-11(14)9-25-15-2-1-3-16-17(15)18(24-26-16)23-13-7-21-10-22-8-13;1-23(2)9-16(24)21-18-17-14(4-3-5-15(17)26-22-18)25-10-11-8-12(20)6-7-13(11)19/h3-7,10H,1-2,8-9,11-12H2,(H,23,24,26);5-10H,3-4,11-12H2,1-2H3,(H,23,24,26);1-8,10H,9H2,(H,23,24);3-8H,9-10H2,1-2H3,(H,21,22,24).

What are the key properties of N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine?

N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine has a molecular weight of 1558.27 g/mol, XLogP of 17.15, 25 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 157306575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).