(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide

C91H110N8O27S4 — CID 162146215

About (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide

(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 162146215) has the molecular formula C91H110N8O27S4 and a molecular weight of 1876.18 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

• Compound Name: (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide
• PubChem CID: 162146215
• Molecular Formula: C91H110N8O27S4
• Molecular Weight: 1876.18 g/mol
• Exact Mass: 1874.64
• IUPAC Name: (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide
• SMILES: COCC(C)(O)c1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)cc1.COCCOc1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)cc1.C[C@@H](O)c1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)cc1.C[C@@](C[C@H]1CC(c2ccc(-c3ccc(OCCO)cc3)cc2)=NO1)(C(=O)NO)S(C)(=O)=O
• InChI: InChI=1S/C24H30N2O7S.C23H28N2O7S.C22H26N2O7S.C22H26N2O6S/c1-23(28,15-32-3)19-11-9-17(10-12-19)16-5-7-18(8-6-16)21-13-20(33-26-21)14-24(2,22(27)25-29)34(4,30)31;1-23(22(26)24-27,33(3,28)29)15-20-14-21(25-32-20)18-6-4-16(5-7-18)17-8-10-19(11-9-17)31-13-12-30-2;1-22(21(26)23-27,32(2,28)29)14-19-13-20(24-31-19)17-5-3-15(4-6-17)16-7-9-18(10-8-16)30-12-11-25;1-14(25)15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-12-19(30-24-20)13-22(2,21(26)23-27)31(3,28)29/h5-12,20,28-29H,13-15H2,1-4H3,(H,25,27);4-11,20,27H,12-15H2,1-3H3,(H,24,26);3-10,19,25,27H,11-14H2,1-2H3,(H,23,26);4-11,14,19,25,27H,12-13H2,1-3H3,(H,23,26)/t20-,23?,24-;20-,23-;19-,22-;14-,19-,22-/m1111/s1
• InChIKey: ZKOYPVYASBTUMJ-CCDMAHEWSA-N
• XLogP: 9.49
• TPSA: 517.85 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1876.18
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide?

The IUPAC name of (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide (CID 162146215) is (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide.

What is the SMILES notation for (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide?

The canonical SMILES for (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide is COCC(C)(O)c1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)cc1.COCCOc1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)cc1.C[C@@H](O)c1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)cc1.C[C@@](C[C@H]1CC(c2ccc(-c3ccc(OCCO)cc3)cc2)=NO1)(C(=O)NO)S(C)(=O)=O.

What is the InChIKey of (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide?

The InChIKey is ZKOYPVYASBTUMJ-CCDMAHEWSA-N. The full InChI is InChI=1S/C24H30N2O7S.C23H28N2O7S.C22H26N2O7S.C22H26N2O6S/c1-23(28,15-32-3)19-11-9-17(10-12-19)16-5-7-18(8-6-16)21-13-20(33-26-21)14-24(2,22(27)25-29)34(4,30)31;1-23(22(26)24-27,33(3,28)29)15-20-14-21(25-32-20)18-6-4-16(5-7-18)17-8-10-19(11-9-17)31-13-12-30-2;1-22(21(26)23-27,32(2,28)29)14-19-13-20(24-31-19)17-5-3-15(4-6-17)16-7-9-18(10-8-16)30-12-11-25;1-14(25)15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-12-19(30-24-20)13-22(2,21(26)23-27)31(3,28)29/h5-12,20,28-29H,13-15H2,1-4H3,(H,25,27);4-11,20,27H,12-15H2,1-3H3,(H,24,26);3-10,19,25,27H,11-14H2,1-2H3,(H,23,26);4-11,14,19,25,27H,12-13H2,1-3H3,(H,23,26)/t20-,23?,24-;20-,23-;19-,22-;14-,19-,22-/m1111/s1.

What are the key properties of (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide?

(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 1876.18 g/mol, XLogP of 9.49, 35 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-3-[(5R)-3-[4-[4-(2-methoxyethoxy)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 162146215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).