(2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide

C87H98F6N10O22S4 — CID 159746518

About (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide

(2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide (PubChem CID 159746518) has the molecular formula C87H98F6N10O22S4 and a molecular weight of 1878.04 g/mol. Its IUPAC name is (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
• PubChem CID: 159746518
• Molecular Formula: C87H98F6N10O22S4
• Molecular Weight: 1878.04 g/mol
• Exact Mass: 1876.56
• IUPAC Name: (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
• SMILES: CC(C)(O)c1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)cc1.CC(C)c1cc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)ccn1.COc1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)c(C)c1.C[C@@](C[C@H]1CC(c2ccc(-c3ccncc3C(F)(F)F)cc2)=NO1)(C(=O)NO)S(C)(=O)=O
• InChI: InChI=1S/C23H27FN2O6S.C22H26FN3O5S.C22H25FN2O6S.C20H20F3N3O5S/c1-22(2,28)16-8-5-14(6-9-16)18-10-7-15(11-19(18)24)20-12-17(32-26-20)13-23(3,21(27)25-29)33(4,30)31;1-13(2)19-10-14(7-8-24-19)17-6-5-15(9-18(17)23)20-11-16(31-26-20)12-22(3,21(27)25-28)32(4,29)30;1-13-9-15(30-3)6-8-17(13)18-7-5-14(10-19(18)23)20-11-16(31-25-20)12-22(2,21(26)24-27)32(4,28)29;1-19(18(27)25-28,32(2,29)30)10-14-9-17(26-31-14)13-5-3-12(4-6-13)15-7-8-24-11-16(15)20(21,22)23/h5-11,17,28-29H,12-13H2,1-4H3,(H,25,27);5-10,13,16,28H,11-12H2,1-4H3,(H,25,27);5-10,16,27H,11-12H2,1-4H3,(H,24,26);3-8,11,14,28H,9-10H2,1-2H3,(H,25,27)/t17-,23-;2*16-,22-;14-,19-/m1111/s1
• InChIKey: NDCIOYXHRITDDD-YMLGMUQPSA-N
• XLogP: 12.08
• TPSA: 475.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1878.04
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'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)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?

The IUPAC name of (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide (CID 159746518) is (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide.

What is the SMILES notation for (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?

The canonical SMILES for (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide is CC(C)(O)c1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)cc1.CC(C)c1cc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)ccn1.COc1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)c(C)c1.C[C@@](C[C@H]1CC(c2ccc(-c3ccncc3C(F)(F)F)cc2)=NO1)(C(=O)NO)S(C)(=O)=O.

What is the InChIKey of (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?

The InChIKey is NDCIOYXHRITDDD-YMLGMUQPSA-N. The full InChI is InChI=1S/C23H27FN2O6S.C22H26FN3O5S.C22H25FN2O6S.C20H20F3N3O5S/c1-22(2,28)16-8-5-14(6-9-16)18-10-7-15(11-19(18)24)20-12-17(32-26-20)13-23(3,21(27)25-29)33(4,30)31;1-13(2)19-10-14(7-8-24-19)17-6-5-15(9-18(17)23)20-11-16(31-26-20)12-22(3,21(27)25-28)32(4,29)30;1-13-9-15(30-3)6-8-17(13)18-7-5-14(10-19(18)23)20-11-16(31-25-20)12-22(2,21(26)24-27)32(4,28)29;1-19(18(27)25-28,32(2,29)30)10-14-9-17(26-31-14)13-5-3-12(4-6-13)15-7-8-24-11-16(15)20(21,22)23/h5-11,17,28-29H,12-13H2,1-4H3,(H,25,27);5-10,13,16,28H,11-12H2,1-4H3,(H,25,27);5-10,16,27H,11-12H2,1-4H3,(H,24,26);3-8,11,14,28H,9-10H2,1-2H3,(H,25,27)/t17-,23-;2*16-,22-;14-,19-/m1111/s1.

What are the key properties of (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?

(2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide has a molecular weight of 1878.04 g/mol, XLogP of 12.08, 27 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[(5R)-3-[3-fluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(4-methoxy-2-methylphenyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[3-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 159746518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).