2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole

C20H19NO2 — CID 625931

IUPAC2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc2cc3cc(C4=NC(C)(C)CO4)ccc3cc2c1
InChIInChI=1S/C20H19NO2/c1-20(2)12-23-19(21-20)15-5-4-13-9-17-11-18(22-3)7-6-14(17)8-16(13)10-15/h4-11H,12H2,1-3H3
InChIKeyWXXQNAZQMYALFA-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.56
Rot. Bonds2

About 2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 625931) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID625931
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc2cc3cc(C4=NC(C)(C)CO4)ccc3cc2c1
InChIInChI=1S/C20H19NO2/c1-20(2)12-23-19(21-20)15-5-4-13-9-17-11-18(22-3)7-6-14(17)8-16(13)10-15/h4-11H,12H2,1-3H3
InChIKeyWXXQNAZQMYALFA-UHFFFAOYSA-N
XLogP4.56
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 625931) is 2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole is COc1ccc2cc3cc(C4=NC(C)(C)CO4)ccc3cc2c1.
What is the InChIKey of 2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is WXXQNAZQMYALFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-20(2)12-23-19(21-20)15-5-4-13-9-17-11-18(22-3)7-6-14(17)8-16(13)10-15/h4-11H,12H2,1-3H3.
What are the key properties of 2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 305.38 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxyanthracen-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 625931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).