[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine

C136H131Cl2F2N23O17S3 — CID 157116030

About [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine

[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine (PubChem CID 157116030) has the molecular formula C136H131Cl2F2N23O17S3 and a molecular weight of 2564.79 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-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine
• PubChem CID: 157116030
• Molecular Formula: C136H131Cl2F2N23O17S3
• Molecular Weight: 2564.79 g/mol
• Exact Mass: 2561.86
• IUPAC Name: [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine
• SMILES: CSCC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CCS(C)(=O)=O)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CO)(CO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@H](CS(C)(=O)=O)CO5)cc34)cc2C)cn1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1
• InChI: InChI=1S/C28H26ClFN4O2S.C28H29N5O4S.C27H27N5O4S.C27H27N5O4.C26H22ClFN4O3/c1-37-10-9-22-16-36-27(33-22)13-18-5-7-25-23(12-18)28(32-17-31-25)34-21-6-8-26(24(29)14-21)35-15-19-3-2-4-20(30)11-19;1-18-12-21(6-9-26(18)37-23-7-4-19(2)29-15-23)33-28-24-13-20(5-8-25(24)30-17-31-28)14-27-32-22(16-36-27)10-11-38(3,34)35;1-17-10-20(6-9-25(17)36-22-7-4-18(2)28-13-22)32-27-23-11-19(5-8-24(23)29-16-30-27)12-26-31-21(14-35-26)15-37(3,33)34;1-17-9-20(5-8-24(17)36-21-6-3-18(2)28-12-21)31-26-22-10-19(4-7-23(22)29-16-30-26)11-25-32-27(13-33,14-34)15-35-25;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/h2-8,11-12,14,17,22H,9-10,13,15-16H2,1H3,(H,31,32,34);4-9,12-13,15,17,22H,10-11,14,16H2,1-3H3,(H,30,31,33);4-11,13,16,21H,12,14-15H2,1-3H3,(H,29,30,32);3-10,12,16,33-34H,11,13-15H2,1-2H3,(H,29,30,31);1-9,11,15,20,33H,10,12-14H2,(H,29,30,32)/t22-;;21-;;/m0.0../s1
• InChIKey: AHKKQIMGPVGXCS-VEPDPGJNSA-N
• XLogP: 25.30
• TPSA: 510.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 43
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2564.79
LogP ≤ 5	25.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

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-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine?

The IUPAC name of [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine (CID 157116030) is [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine.

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-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine?

The canonical SMILES for [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine is CSCC[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CCS(C)(=O)=O)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(CO)(CO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@H](CS(C)(=O)=O)CO5)cc34)cc2C)cn1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)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-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine?

The InChIKey is AHKKQIMGPVGXCS-VEPDPGJNSA-N. The full InChI is InChI=1S/C28H26ClFN4O2S.C28H29N5O4S.C27H27N5O4S.C27H27N5O4.C26H22ClFN4O3/c1-37-10-9-22-16-36-27(33-22)13-18-5-7-25-23(12-18)28(32-17-31-25)34-21-6-8-26(24(29)14-21)35-15-19-3-2-4-20(30)11-19;1-18-12-21(6-9-26(18)37-23-7-4-19(2)29-15-23)33-28-24-13-20(5-8-25(24)30-17-31-28)14-27-32-22(16-36-27)10-11-38(3,34)35;1-17-10-20(6-9-25(17)36-22-7-4-18(2)28-13-22)32-27-23-11-19(5-8-24(23)29-16-30-27)12-26-31-21(14-35-26)15-37(3,33)34;1-17-9-20(5-8-24(17)36-21-6-3-18(2)28-12-21)31-26-22-10-19(4-7-23(22)29-16-30-26)11-25-32-27(13-33,14-34)15-35-25;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/h2-8,11-12,14,17,22H,9-10,13,15-16H2,1H3,(H,31,32,34);4-9,12-13,15,17,22H,10-11,14,16H2,1-3H3,(H,30,31,33);4-11,13,16,21H,12,14-15H2,1-3H3,(H,29,30,32);3-10,12,16,33-34H,11,13-15H2,1-2H3,(H,29,30,31);1-9,11,15,20,33H,10,12-14H2,(H,29,30,32)/t22-;;21-;;/m0.0../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-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine?

[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine has a molecular weight of 2564.79 g/mol, XLogP of 25.30, 43 rotatable bonds, 8 hydrogen bond donors, and 41 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-4-yl]methanol;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-5H-1,3-oxazol-4-yl]methanol;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 157116030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).