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

C20H17CrNO4 — CID 134898910

IUPACcarbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2-c2ccccc2)=N1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C17H17NO.3CO.Cr/c1-17(2)12-19-16(18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13;3*1-2;/h3-11H,12H2,1-2H3;;;;
InChIKeyNISVKNHHKMZZFK-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.79
Rot. Bonds2

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

carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole (PubChem CID 134898910) has the molecular formula C20H17CrNO4 and a molecular weight of 387.36 g/mol. Its IUPAC name is carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole.

Molecular Properties

Compound Namecarbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole
PubChem CID134898910
Molecular FormulaC20H17CrNO4
Molecular Weight387.36 g/mol
Exact Mass387.06
IUPAC Namecarbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2-c2ccccc2)=N1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C17H17NO.3CO.Cr/c1-17(2)12-19-16(18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13;3*1-2;/h3-11H,12H2,1-2H3;;;;
InChIKeyNISVKNHHKMZZFK-UHFFFAOYSA-N
XLogP3.79
TPSA81.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.79
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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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
CID 395337
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 3718820
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
Txnhzxwelnuonz-uhfffaoysa-
CID 2732888
2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
4-Phenyl-2-(o-tolyl)-4,5-dihydrooxazole
CID 14853170
4,4-dimethyl-2-[2-phenyl-5-(trifluoromethyl)phenyl]-5H-1,3-oxazole
CID 70232877
2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 293474

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole?
The IUPAC name of carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole (CID 134898910) is carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole.
What is the SMILES notation for carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole?
The canonical SMILES for carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole is CC1(C)COC(c2ccccc2-c2ccccc2)=N1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole?
The InChIKey is NISVKNHHKMZZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.3CO.Cr/c1-17(2)12-19-16(18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13;3*1-2;/h3-11H,12H2,1-2H3;;;;.
What are the key properties of carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole?
carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole has a molecular weight of 387.36 g/mol, XLogP of 3.79, 2 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-phenylphenyl)-5H-1,3-oxazole is sourced from PubChem (CID 134898910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).