carbon monoxide;chromium;1,2-oxazole

C8H3CrNO6 — CID 522403

IUPACcarbon monoxide;chromium;1,2-oxazole
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].c1cnoc1
InChIInChI=1S/C3H3NO.5CO.Cr/c1-2-4-5-3-1;5*1-2;/h1-3H;;;;;;
InChIKeyKNSWTDXFTUWEDC-UHFFFAOYSA-N
MW261.11 g/mol
LogP0.48
Rot. Bonds

About carbon monoxide;chromium;1,2-oxazole

carbon monoxide;chromium;1,2-oxazole (PubChem CID 522403) has the molecular formula C8H3CrNO6 and a molecular weight of 261.11 g/mol. Its IUPAC name is carbon monoxide;chromium;1,2-oxazole.

Molecular Properties

Compound Namecarbon monoxide;chromium;1,2-oxazole
PubChem CID522403
Molecular FormulaC8H3CrNO6
Molecular Weight261.11 g/mol
Exact Mass260.94
IUPAC Namecarbon monoxide;chromium;1,2-oxazole
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].c1cnoc1
InChIInChI=1S/C3H3NO.5CO.Cr/c1-2-4-5-3-1;5*1-2;/h1-3H;;;;;;
InChIKeyKNSWTDXFTUWEDC-UHFFFAOYSA-N
XLogP0.48
TPSA125.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 50.48
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'}

Analyze carbon monoxide;chromium;1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isoxazole
CID 9254
Isoxazole 2-oxide
CID 18331446
Isoxazolium iodide
CID 21569482
Isoxazole hydrochloride
CID 22273558
4-Deuteroisoxazole
CID 23278574
Isoxazole water
CID 69327031
Isoxazole propionate
CID 69493953
1,2-Oxazole;2,2,2-trifluoroacetic acid
CID 139886310
1,2-Oxazole;1,1,1-trifluoroethane
CID 159581642
1,3,2,4-Dioxathiazepin
CID 129630879
5-Stannylisoxazole
CID 129701972
CID 17835474
CID 17835474

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;1,2-oxazole?
The IUPAC name of carbon monoxide;chromium;1,2-oxazole (CID 522403) is carbon monoxide;chromium;1,2-oxazole.
What is the SMILES notation for carbon monoxide;chromium;1,2-oxazole?
The canonical SMILES for carbon monoxide;chromium;1,2-oxazole is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].c1cnoc1.
What is the InChIKey of carbon monoxide;chromium;1,2-oxazole?
The InChIKey is KNSWTDXFTUWEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.5CO.Cr/c1-2-4-5-3-1;5*1-2;/h1-3H;;;;;;.
What are the key properties of carbon monoxide;chromium;1,2-oxazole?
carbon monoxide;chromium;1,2-oxazole has a molecular weight of 261.11 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;1,2-oxazole is sourced from PubChem (CID 522403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).