carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole

C15H15CrNO4 — CID 11823541

IUPACcarbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
SMILESCc1ccccc1C1=NC(C)(C)CO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C12H15NO.3CO.Cr/c1-9-6-4-5-7-10(9)11-13-12(2,3)8-14-11;3*1-2;/h4-7H,8H2,1-3H3;;;;
InChIKeyLIPCSNKMKOSMEK-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.44
Rot. Bonds1

About carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole

carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole (PubChem CID 11823541) has the molecular formula C15H15CrNO4 and a molecular weight of 325.28 g/mol. Its IUPAC name is carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole.

Molecular Properties

Compound Namecarbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
PubChem CID11823541
Molecular FormulaC15H15CrNO4
Molecular Weight325.28 g/mol
Exact Mass325.04
IUPAC Namecarbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
SMILESCc1ccccc1C1=NC(C)(C)CO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C12H15NO.3CO.Cr/c1-9-6-4-5-7-10(9)11-13-12(2,3)8-14-11;3*1-2;/h4-7H,8H2,1-3H3;;;;
InChIKeyLIPCSNKMKOSMEK-UHFFFAOYSA-N
XLogP2.44
TPSA81.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole?
The IUPAC name of carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole (CID 11823541) is carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole.
What is the SMILES notation for carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole?
The canonical SMILES for carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole is Cc1ccccc1C1=NC(C)(C)CO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole?
The InChIKey is LIPCSNKMKOSMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.3CO.Cr/c1-9-6-4-5-7-10(9)11-13-12(2,3)8-14-11;3*1-2;/h4-7H,8H2,1-3H3;;;;.
What are the key properties of carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole?
carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole has a molecular weight of 325.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole is sourced from PubChem (CID 11823541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).