N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C65H84N6O19 — CID 159164382

About N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 159164382) has the molecular formula C65H84N6O19 and a molecular weight of 1253.41 g/mol. Its IUPAC name is N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 159164382
• Molecular Formula: C65H84N6O19
• Molecular Weight: 1253.41 g/mol
• Exact Mass: 1252.58
• IUPAC Name: N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: CCNC(=O)c1noc(-c2cc(C(C)C)c(C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2O)c1-c1ccc(CN2CCOCC2)cc1.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1-c1ccc(CN2CCOCC2)cc1
• InChI: InChI=1S/C33H43N3O9.C32H41N3O10/c1-4-34-33(42)28-27(20-7-5-19(6-8-20)16-36-9-11-43-12-10-36)32(45-35-28)23-15-22(18(2)3)21(13-24(23)38)14-25-29(39)31(41)30(40)26(17-37)44-25;1-4-33-31(41)26-25(19-7-5-18(6-8-19)15-35-9-11-42-12-10-35)30(45-34-26)21-13-20(17(2)3)22(37)14-23(21)43-32-29(40)28(39)27(38)24(16-36)44-32/h5-8,13,15,18,25-26,29-31,37-41H,4,9-12,14,16-17H2,1-3H3,(H,34,42);5-8,13-14,17,24,27-29,32,36-40H,4,9-12,15-16H2,1-3H3,(H,33,41)/t25-,26+,29-,30-,31+;24-,27+,28+,29-,32-/m01/s1
• InChIKey: KKWSAJIOAVOHIS-PJEMRCFFSA-N
• XLogP: 3.40
• TPSA: 365.19 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1253.41
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 159164382) is N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2O)c1-c1ccc(CN2CCOCC2)cc1.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1-c1ccc(CN2CCOCC2)cc1.

What is the InChIKey of N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is KKWSAJIOAVOHIS-PJEMRCFFSA-N. The full InChI is InChI=1S/C33H43N3O9.C32H41N3O10/c1-4-34-33(42)28-27(20-7-5-19(6-8-20)16-36-9-11-43-12-10-36)32(45-35-28)23-15-22(18(2)3)21(13-24(23)38)14-25-29(39)31(41)30(40)26(17-37)44-25;1-4-33-31(41)26-25(19-7-5-18(6-8-19)15-35-9-11-42-12-10-35)30(45-34-26)21-13-20(17(2)3)22(37)14-23(21)43-32-29(40)28(39)27(38)24(16-36)44-32/h5-8,13,15,18,25-26,29-31,37-41H,4,9-12,14,16-17H2,1-3H3,(H,34,42);5-8,13-14,17,24,27-29,32,36-40H,4,9-12,15-16H2,1-3H3,(H,33,41)/t25-,26+,29-,30-,31+;24-,27+,28+,29-,32-/m01/s1.

What are the key properties of N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 1253.41 g/mol, XLogP of 3.40, 20 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-5-[2-hydroxy-5-propan-2-yl-4-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-hydroxy-5-propan-2-yl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159164382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).