6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium

C12H9N2O3Y- — CID 58784314

IUPAC6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium
SMILESCc1cc(COc2ccc3n[c-]oc3c2)on1.[Y]
InChIInChI=1S/C12H9N2O3.Y/c1-8-4-10(17-14-8)6-15-9-2-3-11-12(5-9)16-7-13-11;/h2-5H,6H2,1H3;/q-1;
InChIKeyXRAJHUFQHCXNSF-UHFFFAOYSA-N
MW318.12 g/mol
LogP2.50
Rot. Bonds3

About 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium

6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium (PubChem CID 58784314) has the molecular formula C12H9N2O3Y- and a molecular weight of 318.12 g/mol. Its IUPAC name is 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium.

Molecular Properties

Compound Name6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium
PubChem CID58784314
Molecular FormulaC12H9N2O3Y-
Molecular Weight318.12 g/mol
Exact Mass317.97
IUPAC Name6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium
SMILESCc1cc(COc2ccc3n[c-]oc3c2)on1.[Y]
InChIInChI=1S/C12H9N2O3.Y/c1-8-4-10(17-14-8)6-15-9-2-3-11-12(5-9)16-7-13-11;/h2-5H,6H2,1H3;/q-1;
InChIKeyXRAJHUFQHCXNSF-UHFFFAOYSA-N
XLogP2.50
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.12
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium with MolForge

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Related Compounds

3-methyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole
CID 56820803
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenol
CID 43143519
[5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methanol
CID 79800729
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde
CID 43388442
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
1-[2-fluoro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 107716681
N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60880636
2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid
CID 61398198
N-[[5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782711
3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile
CID 103566924

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium?
The IUPAC name of 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium (CID 58784314) is 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium.
What is the SMILES notation for 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium?
The canonical SMILES for 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium is Cc1cc(COc2ccc3n[c-]oc3c2)on1.[Y].
What is the InChIKey of 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium?
The InChIKey is XRAJHUFQHCXNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N2O3.Y/c1-8-4-10(17-14-8)6-15-9-2-3-11-12(5-9)16-7-13-11;/h2-5H,6H2,1H3;/q-1;.
What are the key properties of 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium?
6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium has a molecular weight of 318.12 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2H-1,3-benzoxazol-2-ide;yttrium is sourced from PubChem (CID 58784314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).