dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate

C18H25Cl2N2O3Rh — CID 15974907

About dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate

dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate (PubChem CID 15974907) has the molecular formula C18H25Cl2N2O3Rh and a molecular weight of 491.22 g/mol. Its IUPAC name is dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate.

Molecular Properties

• Compound Name: dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate
• PubChem CID: 15974907
• Molecular Formula: C18H25Cl2N2O3Rh
• Molecular Weight: 491.22 g/mol
• Exact Mass: 490.03
• IUPAC Name: dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate
• SMILES: CC(C)[C@H]1COC(c2c[c-]cc(C3=N[C@@H](C(C)C)CO3)c2)=N1.Cl[Rh+]Cl.O
• InChI: InChI=1S/C18H23N2O2.2ClH.H2O.Rh/c1-11(2)15-9-21-17(19-15)13-6-5-7-14(8-13)18-20-16(10-22-18)12(3)4;;;;/h6-8,11-12,15-16H,9-10H2,1-4H3;2*1H;1H2;/q-1;;;;+3/p-2/t15-,16-;;;;/m1..../s1
• InChIKey: TVLJPVUIEBUSIU-WOLYCILSSA-L
• XLogP: 3.64
• TPSA: 74.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.22
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate?

The IUPAC name of dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate (CID 15974907) is dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate.

What is the SMILES notation for dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate?

The canonical SMILES for dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate is CC(C)[C@H]1COC(c2c[c-]cc(C3=N[C@@H](C(C)C)CO3)c2)=N1.Cl[Rh+]Cl.O.

What is the InChIKey of dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate?

The InChIKey is TVLJPVUIEBUSIU-WOLYCILSSA-L. The full InChI is InChI=1S/C18H23N2O2.2ClH.H2O.Rh/c1-11(2)15-9-21-17(19-15)13-6-5-7-14(8-13)18-20-16(10-22-18)12(3)4;;;;/h6-8,11-12,15-16H,9-10H2,1-4H3;2*1H;1H2;/q-1;;;;+3/p-2/t15-,16-;;;;/m1..../s1.

What are the key properties of dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate?

dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate has a molecular weight of 491.22 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate is sourced from PubChem (CID 15974907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).