[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol

C126H114Cl3FN24O14S — CID 160563901

About [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]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-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 160563901) has the molecular formula C126H114Cl3FN24O14S and a molecular weight of 2345.88 g/mol. Its IUPAC name is [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

• Compound Name: [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol
• PubChem CID: 160563901
• Molecular Formula: C126H114Cl3FN24O14S
• Molecular Weight: 2345.88 g/mol
• Exact Mass: 2342.77
• IUPAC Name: [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol
• SMILES: Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@@H](CCO)CO5)cc34)cc2C)cn1.Clc1cc(Nc2ncnc3ccc(CC4=NCCO4)cc23)ccc1OCc1nccs1.OCC1CN=C(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)O1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1
• InChI: InChI=1S/C27H27N5O3.C26H22ClFN4O3.C26H25N5O3.C25H22ClN5O3.C22H18ClN5O2S/c1-17-11-20(5-8-25(17)35-22-6-3-18(2)28-14-22)32-27-23-12-19(4-7-24(23)29-16-30-27)13-26-31-21(9-10-33)15-34-26;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;1-16-9-19(5-8-24(16)34-21-6-3-17(2)27-12-21)31-26-22-10-18(4-7-23(22)28-15-29-26)11-25-30-20(13-32)14-33-25;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/h3-8,11-12,14,16,21,33H,9-10,13,15H2,1-2H3,(H,29,30,32);1-9,11,15,20,33H,10,12-14H2,(H,30,31,32);3-10,12,15,20,32H,11,13-14H2,1-2H3,(H,28,29,31);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)/t21-;;;;/m0..../s1
• InChIKey: QZRDQIYQDDEDBB-WUDICJIASA-N
• XLogP: 23.85
• TPSA: 475.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 38
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.88
LogP ≤ 5	23.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol?

The IUPAC name of [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 160563901) is [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol.

What is the SMILES notation for [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol?

The canonical SMILES for [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol is Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@@H](CCO)CO5)cc34)cc2C)cn1.Clc1cc(Nc2ncnc3ccc(CC4=NCCO4)cc23)ccc1OCc1nccs1.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-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol?

The InChIKey is QZRDQIYQDDEDBB-WUDICJIASA-N. The full InChI is InChI=1S/C27H27N5O3.C26H22ClFN4O3.C26H25N5O3.C25H22ClN5O3.C22H18ClN5O2S/c1-17-11-20(5-8-25(17)35-22-6-3-18(2)28-14-22)32-27-23-12-19(4-7-24(23)29-16-30-27)13-26-31-21(9-10-33)15-34-26;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;1-16-9-19(5-8-24(16)34-21-6-3-17(2)27-12-21)31-26-22-10-18(4-7-23(22)28-15-29-26)11-25-30-20(13-32)14-33-25;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/h3-8,11-12,14,16,21,33H,9-10,13,15H2,1-2H3,(H,29,30,32);1-9,11,15,20,33H,10,12-14H2,(H,30,31,32);3-10,12,15,20,32H,11,13-14H2,1-2H3,(H,28,29,31);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)/t21-;;;;/m0..../s1.

What are the key properties of [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]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-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 2345.88 g/mol, XLogP of 23.85, 38 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;[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-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 160563901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).