2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine

C130H116Cl5F3N23O18PS — CID 160829840

About 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine

2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine (PubChem CID 160829840) has the molecular formula C130H116Cl5F3N23O18PS and a molecular weight of 2585.80 g/mol. Its IUPAC name is 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine
• PubChem CID: 160829840
• Molecular Formula: C130H116Cl5F3N23O18PS
• Molecular Weight: 2585.80 g/mol
• Exact Mass: 2581.67
• IUPAC Name: 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine
• SMILES: CN(C)CC(=O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.Clc1cc(Nc2ncnc3ccc(CC4=NCCO4)cc23)ccc1OCc1nccs1.O=P(O)(O)OCC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCC1CN=C(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)O1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1
• InChI: InChI=1S/C30H29ClFN5O4.C27H25ClFN4O6P.C26H22ClFN4O3.C25H22ClN5O3.C22H18ClN5O2S/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;28-23-13-20(5-7-25(23)37-14-18-2-1-3-19(29)10-18)33-27-22-11-17(4-6-24(22)30-16-31-27)12-26-32-21(15-38-26)8-9-39-40(34,35)36;27-22-11-19(5-7-24(22)34-14-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)30-15-31-26)10-25-29-12-20(13-33)35-25;26-21-11-17(5-7-23(21)33-13-18-3-1-2-8-27-18)31-25-20-9-16(4-6-22(20)28-15-29-25)10-24-30-19(12-32)14-34-24;23-17-11-15(2-4-19(17)30-12-21-25-6-8-31-21)28-22-16-9-14(10-20-24-5-7-29-20)1-3-18(16)26-13-27-22/h3-11,13,18,23H,12,14-17H2,1-2H3,(H,33,34,36);1-7,10-11,13,16,21H,8-9,12,14-15H2,(H,30,31,33)(H2,34,35,36);1-9,11,15,20,33H,10,12-14H2,(H,30,31,32);1-9,11,15,19,32H,10,12-14H2,(H,28,29,31);1-4,6,8-9,11,13H,5,7,10,12H2,(H,26,27,28)/t23-;21-;;;/m10.../s1
• InChIKey: SGQPNGRRBYWVJW-KAHHELNPSA-N
• XLogP: 25.22
• TPSA: 505.69 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 45
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2585.80
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine?

The IUPAC name of 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine (CID 160829840) is 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine.

What is the SMILES notation for 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine?

The canonical SMILES for 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine is CN(C)CC(=O)OC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.Clc1cc(Nc2ncnc3ccc(CC4=NCCO4)cc23)ccc1OCc1nccs1.O=P(O)(O)OCC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCC1CN=C(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)O1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.

What is the InChIKey of 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine?

The InChIKey is SGQPNGRRBYWVJW-KAHHELNPSA-N. The full InChI is InChI=1S/C30H29ClFN5O4.C27H25ClFN4O6P.C26H22ClFN4O3.C25H22ClN5O3.C22H18ClN5O2S/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;28-23-13-20(5-7-25(23)37-14-18-2-1-3-19(29)10-18)33-27-22-11-17(4-6-24(22)30-16-31-27)12-26-32-21(15-38-26)8-9-39-40(34,35)36;27-22-11-19(5-7-24(22)34-14-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)30-15-31-26)10-25-29-12-20(13-33)35-25;26-21-11-17(5-7-23(21)33-13-18-3-1-2-8-27-18)31-25-20-9-16(4-6-22(20)28-15-29-25)10-24-30-19(12-32)14-34-24;23-17-11-15(2-4-19(17)30-12-21-25-6-8-31-21)28-22-16-9-14(10-20-24-5-7-29-20)1-3-18(16)26-13-27-22/h3-11,13,18,23H,12,14-17H2,1-2H3,(H,33,34,36);1-7,10-11,13,16,21H,8-9,12,14-15H2,(H,30,31,33)(H2,34,35,36);1-9,11,15,20,33H,10,12-14H2,(H,30,31,32);1-9,11,15,19,32H,10,12-14H2,(H,28,29,31);1-4,6,8-9,11,13H,5,7,10,12H2,(H,26,27,28)/t23-;21-;;;/m10.../s1.

What are the key properties of 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine?

2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine has a molecular weight of 2585.80 g/mol, XLogP of 25.22, 45 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethyl dihydrogen phosphate;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[(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-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 160829840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).