carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde

C12H12HoNO2- — CID 178138249

IUPACcarbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde
SMILESCc1ccccc1-c1cc(C=O)no1.[CH3-].[Ho]
InChIInChI=1S/C11H9NO2.CH3.Ho/c1-8-4-2-3-5-10(8)11-6-9(7-13)12-14-11;;/h2-7H,1H3;1H3;/q;-1;
InChIKeyHUTIALKONUSOCY-UHFFFAOYSA-N
MW367.16 g/mol
LogP2.91
Rot. Bonds2

About carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde

carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde (PubChem CID 178138249) has the molecular formula C12H12HoNO2- and a molecular weight of 367.16 g/mol. Its IUPAC name is carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Namecarbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde
PubChem CID178138249
Molecular FormulaC12H12HoNO2-
Molecular Weight367.16 g/mol
Exact Mass367.02
IUPAC Namecarbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde
SMILESCc1ccccc1-c1cc(C=O)no1.[CH3-].[Ho]
InChIInChI=1S/C11H9NO2.CH3.Ho/c1-8-4-2-3-5-10(8)11-6-9(7-13)12-14-11;;/h2-7H,1H3;1H3;/q;-1;
InChIKeyHUTIALKONUSOCY-UHFFFAOYSA-N
XLogP2.91
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde 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

ethane;5-phenyl-1,2-oxazole-3-carbaldehyde
CID 144767511
[5-(2-methylphenyl)-1,2-oxazol-3-yl]methanethiol
CID 165479825
N,5-bis(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 52904677
3-(2-methylphenyl)-1,2-benzoxazole-5-carbaldehyde
CID 105498862
2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]benzoic acid
CID 13125665
2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
CID 172876936
4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one
CID 52848486
1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde
CID 84679810
3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde
CID 150115001
4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
CID 105453415
2,3-dimethyl-5-(2-methylphenyl)furan
CID 172731165
3-(azepan-2-yl)-5-(2-methylphenyl)-1,2-oxazole
CID 46785763

Frequently Asked Questions

What is the IUPAC name of carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde?
The IUPAC name of carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde (CID 178138249) is carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde is Cc1ccccc1-c1cc(C=O)no1.[CH3-].[Ho].
What is the InChIKey of carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde?
The InChIKey is HUTIALKONUSOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2.CH3.Ho/c1-8-4-2-3-5-10(8)11-6-9(7-13)12-14-11;;/h2-7H,1H3;1H3;/q;-1;.
What are the key properties of carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde?
carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde has a molecular weight of 367.16 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;holmium;5-(2-methylphenyl)-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 178138249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).