carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten

C30H39N2O4W- — CID 158639953

IUPACcarbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten
SMILESCOC(C)c1cc(C)cc(-c2c(C)noc2C)c1.Cc1cc(-c2c(C)noc2C)cc(C(C)O)c1.[CH3-].[W]
InChIInChI=1S/C15H19NO2.C14H17NO2.CH3.W/c1-9-6-13(11(3)17-5)8-14(7-9)15-10(2)16-18-12(15)4;1-8-5-12(10(3)16)7-13(6-8)14-9(2)15-17-11(14)4;;/h6-8,11H,1-5H3;5-7,10,16H,1-4H3;1H3;/q;;-1;
InChIKeyIDLBJRDINPOUQY-UHFFFAOYSA-N
MW675.49 g/mol
LogP7.74
Rot. Bonds5

About carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten

carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten (PubChem CID 158639953) has the molecular formula C30H39N2O4W- and a molecular weight of 675.49 g/mol. Its IUPAC name is carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten.

Molecular Properties

Compound Namecarbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten
PubChem CID158639953
Molecular FormulaC30H39N2O4W-
Molecular Weight675.49 g/mol
Exact Mass675.24
IUPAC Namecarbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten
SMILESCOC(C)c1cc(C)cc(-c2c(C)noc2C)c1.Cc1cc(-c2c(C)noc2C)cc(C(C)O)c1.[CH3-].[W]
InChIInChI=1S/C15H19NO2.C14H17NO2.CH3.W/c1-9-6-13(11(3)17-5)8-14(7-9)15-10(2)16-18-12(15)4;1-8-5-12(10(3)16)7-13(6-8)14-9(2)15-17-11(14)4;;/h6-8,11H,1-5H3;5-7,10,16H,1-4H3;1H3;/q;;-1;
InChIKeyIDLBJRDINPOUQY-UHFFFAOYSA-N
XLogP7.74
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.49
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten?
The IUPAC name of carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten (CID 158639953) is carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten.
What is the SMILES notation for carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten?
The canonical SMILES for carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten is COC(C)c1cc(C)cc(-c2c(C)noc2C)c1.Cc1cc(-c2c(C)noc2C)cc(C(C)O)c1.[CH3-].[W].
What is the InChIKey of carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten?
The InChIKey is IDLBJRDINPOUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.C14H17NO2.CH3.W/c1-9-6-13(11(3)17-5)8-14(7-9)15-10(2)16-18-12(15)4;1-8-5-12(10(3)16)7-13(6-8)14-9(2)15-17-11(14)4;;/h6-8,11H,1-5H3;5-7,10,16H,1-4H3;1H3;/q;;-1;.
What are the key properties of carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten?
carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten has a molecular weight of 675.49 g/mol, XLogP of 7.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]ethanol;4-[3-(1-methoxyethyl)-5-methylphenyl]-3,5-dimethyl-1,2-oxazole;tungsten is sourced from PubChem (CID 158639953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).