[2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate

C134H119Cl5F5N21O22P2 — CID 159157626

About [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate

[2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate (PubChem CID 159157626) has the molecular formula C134H119Cl5F5N21O22P2 and a molecular weight of 2709.75 g/mol. Its IUPAC name is [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate.

Molecular Properties

• Compound Name: [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate
• PubChem CID: 159157626
• Molecular Formula: C134H119Cl5F5N21O22P2
• Molecular Weight: 2709.75 g/mol
• Exact Mass: 2705.67
• IUPAC Name: [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate
• SMILES: CN(C)CC(=O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.O=P(O)(O)OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.O=P(O)(O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCC1CN=C(Cc2ccc3ncnc(Nc4ccc(COc5cccc(F)c5)c(Cl)c4)c3c2)O1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1
• InChI: InChI=1S/C30H29ClFN5O4.2C26H23ClFN4O6P.2C26H22ClFN4O3/c1-37(2)14-29(38)41-17-23-16-40-28(35-23)12-19-6-8-26-24(11-19)30(34-18-33-26)36-22-7-9-27(25(31)13-22)39-15-20-4-3-5-21(32)10-20;2*27-22-11-19(5-7-24(22)36-12-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(13-37-25)14-38-39(33,34)35;27-23-11-19(6-5-17(23)14-34-20-3-1-2-18(28)10-20)32-26-22-8-16(4-7-24(22)30-15-31-26)9-25-29-12-21(13-33)35-25;27-22-11-19(5-7-24(22)34-13-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(12-33)14-35-25/h3-11,13,18,23H,12,14-17H2,1-2H3,(H,33,34,36);2*1-9,11,15,20H,10,12-14H2,(H,29,30,32)(H2,33,34,35);1-8,10-11,15,21,33H,9,12-14H2,(H,30,31,32);1-9,11,15,20,33H,10,12-14H2,(H,29,30,32)/t23-;20-;;;/m11.../s1
• InChIKey: KKBZMPZUKZNXDR-ZHCXYDCASA-N
• XLogP: 25.73
• TPSA: 546.67 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 47
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2709.75
LogP ≤ 5	25.73
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate?

The IUPAC name of [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate (CID 159157626) is [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate.

What is the SMILES notation for [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate?

The canonical SMILES for [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate is CN(C)CC(=O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.O=P(O)(O)OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.O=P(O)(O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCC1CN=C(Cc2ccc3ncnc(Nc4ccc(COc5cccc(F)c5)c(Cl)c4)c3c2)O1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.

What is the InChIKey of [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate?

The InChIKey is KKBZMPZUKZNXDR-ZHCXYDCASA-N. The full InChI is InChI=1S/C30H29ClFN5O4.2C26H23ClFN4O6P.2C26H22ClFN4O3/c1-37(2)14-29(38)41-17-23-16-40-28(35-23)12-19-6-8-26-24(11-19)30(34-18-33-26)36-22-7-9-27(25(31)13-22)39-15-20-4-3-5-21(32)10-20;2*27-22-11-19(5-7-24(22)36-12-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(13-37-25)14-38-39(33,34)35;27-23-11-19(6-5-17(23)14-34-20-3-1-2-18(28)10-20)32-26-22-8-16(4-7-24(22)30-15-31-26)9-25-29-12-21(13-33)35-25;27-22-11-19(5-7-24(22)34-13-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(12-33)14-35-25/h3-11,13,18,23H,12,14-17H2,1-2H3,(H,33,34,36);2*1-9,11,15,20H,10,12-14H2,(H,29,30,32)(H2,33,34,35);1-8,10-11,15,21,33H,9,12-14H2,(H,30,31,32);1-9,11,15,20,33H,10,12-14H2,(H,29,30,32)/t23-;20-;;;/m11.../s1.

What are the key properties of [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate?

[2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate has a molecular weight of 2709.75 g/mol, XLogP of 25.73, 47 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[4-[3-chloro-4-[(3-fluorophenoxy)methyl]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;[(4R)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl 2-(dimethylamino)acetate is sourced from PubChem (CID 159157626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).