chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene

C27H35CrN2O4- — CID 135490448

About chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene

chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene (PubChem CID 135490448) has the molecular formula C27H35CrN2O4- and a molecular weight of 503.58 g/mol. Its IUPAC name is chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene.

Molecular Properties

• Compound Name: chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene
• PubChem CID: 135490448
• Molecular Formula: C27H35CrN2O4-
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.20
• IUPAC Name: chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene
• SMILES: C=C[CH2-].CC(C)[C@H]1COC(c2ccccc2O)=N1.CC(C)[C@H]1COC(c2ccccc2O)=N1.[Cr]
• InChI: InChI=1S/2C12H15NO2.C3H5.Cr/c2*1-8(2)10-7-15-12(13-10)9-5-3-4-6-11(9)14;1-3-2;/h2*3-6,8,10,14H,7H2,1-2H3;3H,1-2H2;/q;;-1;/t2*10-;;/m11../s1
• InChIKey: WXOLZHUQDONZBK-CFQPJNDNSA-N
• XLogP: 5.39
• TPSA: 83.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene?

The IUPAC name of chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene (CID 135490448) is chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene.

What is the SMILES notation for chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene?

The canonical SMILES for chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene is C=C[CH2-].CC(C)[C@H]1COC(c2ccccc2O)=N1.CC(C)[C@H]1COC(c2ccccc2O)=N1.[Cr].

What is the InChIKey of chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene?

The InChIKey is WXOLZHUQDONZBK-CFQPJNDNSA-N. The full InChI is InChI=1S/2C12H15NO2.C3H5.Cr/c2*1-8(2)10-7-15-12(13-10)9-5-3-4-6-11(9)14;1-3-2;/h2*3-6,8,10,14H,7H2,1-2H3;3H,1-2H2;/q;;-1;/t2*10-;;/m11../s1.

What are the key properties of chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene?

chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene has a molecular weight of 503.58 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for chromium;bis(2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol);prop-1-ene is sourced from PubChem (CID 135490448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).