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

C18H21CrNO4 — CID 134898909

IUPAC2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium
SMILESCCCCc1ccccc1C1=NC(C)(C)CO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C15H21NO.3CO.Cr/c1-4-5-8-12-9-6-7-10-13(12)14-16-15(2,3)11-17-14;3*1-2;/h6-7,9-10H,4-5,8,11H2,1-3H3;;;;
InChIKeySLMHCCVTKPVRKE-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.47
Rot. Bonds4

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

2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium (PubChem CID 134898909) has the molecular formula C18H21CrNO4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium.

Molecular Properties

Compound Name2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium
PubChem CID134898909
Molecular FormulaC18H21CrNO4
Molecular Weight367.37 g/mol
Exact Mass367.09
IUPAC Name2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium
SMILESCCCCc1ccccc1C1=NC(C)(C)CO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C15H21NO.3CO.Cr/c1-4-5-8-12-9-6-7-10-13(12)14-16-15(2,3)11-17-14;3*1-2;/h6-7,9-10H,4-5,8,11H2,1-3H3;;;;
InChIKeySLMHCCVTKPVRKE-UHFFFAOYSA-N
XLogP3.47
TPSA81.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.47
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 2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium?
The IUPAC name of 2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium (CID 134898909) is 2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium.
What is the SMILES notation for 2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium?
The canonical SMILES for 2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium is CCCCc1ccccc1C1=NC(C)(C)CO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of 2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium?
The InChIKey is SLMHCCVTKPVRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.3CO.Cr/c1-4-5-8-12-9-6-7-10-13(12)14-16-15(2,3)11-17-14;3*1-2;/h6-7,9-10H,4-5,8,11H2,1-3H3;;;;.
What are the key properties of 2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium?
2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium has a molecular weight of 367.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole;carbon monoxide;chromium is sourced from PubChem (CID 134898909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).