(2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C126H160ClN21O18 — CID 157072944

About (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

(2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 157072944) has the molecular formula C126H160ClN21O18 and a molecular weight of 2292.25 g/mol. Its IUPAC name is (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• PubChem CID: 157072944
• Molecular Formula: C126H160ClN21O18
• Molecular Weight: 2292.25 g/mol
• Exact Mass: 2290.19
• IUPAC Name: (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• SMILES: CNCC(O)COc1cc(Cl)cc(-c2nc(CC3CCCC3)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(CCCCCN3CCCC3=O)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@H]3CCOC3)cc(-c3c(C)noc3C)n2)c1.Cc1noc(C)c1-c1cc(CC2CCCCC2)nc(-c2cccc(OC[C@@H](O)CN)c2)n1
• InChI: InChI=1S/C28H37N5O4.C25H31ClN4O3.C25H32N4O3.2C24H30N4O4/c1-19-27(20(2)37-32-19)25-16-22(10-5-4-6-13-33-14-8-12-26(33)35)30-28(31-25)21-9-7-11-24(15-21)36-18-23(34)17-29-3;1-15-24(16(2)33-30-15)23-12-20(8-17-6-4-5-7-17)28-25(29-23)18-9-19(26)11-22(10-18)32-14-21(31)13-27-3;1-16-24(17(2)32-29-16)23-13-20(11-18-7-4-3-5-8-18)27-25(28-23)19-9-6-10-22(12-19)31-15-21(30)14-26;2*1-15-23(16(2)32-28-15)22-11-19(9-17-7-8-30-13-17)26-24(27-22)18-5-4-6-21(10-18)31-14-20(29)12-25-3/h7,9,11,15-16,23,29,34H,4-6,8,10,12-14,17-18H2,1-3H3;9-12,17,21,27,31H,4-8,13-14H2,1-3H3;6,9-10,12-13,18,21,30H,3-5,7-8,11,14-15,26H2,1-2H3;2*4-6,10-11,17,20,25,29H,7-9,12-14H2,1-3H3/t;;21-;2*17-,20?/m..010/s1
• InChIKey: ACQJYXTZACNXRE-LCDBGYHRSA-N
• XLogP: 18.61
• TPSA: 519.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 48
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2292.25
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The IUPAC name of (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 157072944) is (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

What is the SMILES notation for (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The canonical SMILES for (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(Cl)cc(-c2nc(CC3CCCC3)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(CCCCCN3CCCC3=O)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@@H]3CCOC3)cc(-c3c(C)noc3C)n2)c1.CNCC(O)COc1cccc(-c2nc(C[C@H]3CCOC3)cc(-c3c(C)noc3C)n2)c1.Cc1noc(C)c1-c1cc(CC2CCCCC2)nc(-c2cccc(OC[C@@H](O)CN)c2)n1.

What is the InChIKey of (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The InChIKey is ACQJYXTZACNXRE-LCDBGYHRSA-N. The full InChI is InChI=1S/C28H37N5O4.C25H31ClN4O3.C25H32N4O3.2C24H30N4O4/c1-19-27(20(2)37-32-19)25-16-22(10-5-4-6-13-33-14-8-12-26(33)35)30-28(31-25)21-9-7-11-24(15-21)36-18-23(34)17-29-3;1-15-24(16(2)33-30-15)23-12-20(8-17-6-4-5-7-17)28-25(29-23)18-9-19(26)11-22(10-18)32-14-21(31)13-27-3;1-16-24(17(2)32-29-16)23-13-20(11-18-7-4-3-5-8-18)27-25(28-23)19-9-6-10-22(12-19)31-15-21(30)14-26;2*1-15-23(16(2)32-28-15)22-11-19(9-17-7-8-30-13-17)26-24(27-22)18-5-4-6-21(10-18)31-14-20(29)12-25-3/h7,9,11,15-16,23,29,34H,4-6,8,10,12-14,17-18H2,1-3H3;9-12,17,21,27,31H,4-8,13-14H2,1-3H3;6,9-10,12-13,18,21,30H,3-5,7-8,11,14-15,26H2,1-2H3;2*4-6,10-11,17,20,25,29H,7-9,12-14H2,1-3H3/t;;21-;2*17-,20?/m..010/s1.

What are the key properties of (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

(2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 2292.25 g/mol, XLogP of 18.61, 48 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-amino-3-[3-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]propan-2-ol;1-[3-chloro-5-[4-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]pentyl]pyrrolidin-2-one;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3R)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(3S)-oxolan-3-yl]methyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 157072944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).