(2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol

C24H32N2O6S — CID 129082316

About (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol

(2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol (PubChem CID 129082316) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol.

Molecular Properties

• Compound Name: (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol
• PubChem CID: 129082316
• Molecular Formula: C24H32N2O6S
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.20
• IUPAC Name: (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol
• SMILES: Cc1cc(C[C@@H](C)O)ccc1-c1ccc(C2=NO[C@@H](C[C@](C)(C(O)NO)S(C)(=O)=O)C2)cc1
• InChI: InChI=1S/C24H32N2O6S/c1-15-11-17(12-16(2)27)5-10-21(15)18-6-8-19(9-7-18)22-13-20(32-26-22)14-24(3,23(28)25-29)33(4,30)31/h5-11,16,20,23,25,27-29H,12-14H2,1-4H3/t16-,20-,23?,24-/m1/s1
• InChIKey: YIIOWWGKWYNUAS-VCBOLBACSA-N
• XLogP: 2.57
• TPSA: 128.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol?

The IUPAC name of (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol (CID 129082316) is (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol.

What is the SMILES notation for (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol?

The canonical SMILES for (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol is Cc1cc(C[C@@H](C)O)ccc1-c1ccc(C2=NO[C@@H](C[C@](C)(C(O)NO)S(C)(=O)=O)C2)cc1.

What is the InChIKey of (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol?

The InChIKey is YIIOWWGKWYNUAS-VCBOLBACSA-N. The full InChI is InChI=1S/C24H32N2O6S/c1-15-11-17(12-16(2)27)5-10-21(15)18-6-8-19(9-7-18)22-13-20(32-26-22)14-24(3,23(28)25-29)33(4,30)31/h5-11,16,20,23,25,27-29H,12-14H2,1-4H3/t16-,20-,23?,24-/m1/s1.

What are the key properties of (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol?

(2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol has a molecular weight of 476.60 g/mol, XLogP of 2.57, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(hydroxyamino)-3-[(5R)-3-[4-[4-[(2R)-2-hydroxypropyl]-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 129082316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).