2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium

C14H10NOY- — CID 59968233

IUPAC2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
SMILES[CH2-]c1nc2cc(-c3ccccc3)ccc2o1.[Y]
InChIInChI=1S/C14H10NO.Y/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11;/h2-9H,1H2;/q-1;
InChIKeyLUVBEJSMLVEYRP-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.67
Rot. Bonds1

About 2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium

2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium (PubChem CID 59968233) has the molecular formula C14H10NOY- and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium.

Molecular Properties

Compound Name2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
PubChem CID59968233
Molecular FormulaC14H10NOY-
Molecular Weight297.15 g/mol
Exact Mass296.98
IUPAC Name2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
SMILES[CH2-]c1nc2cc(-c3ccccc3)ccc2o1.[Y]
InChIInChI=1S/C14H10NO.Y/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11;/h2-9H,1H2;/q-1;
InChIKeyLUVBEJSMLVEYRP-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 91675035
(5-phenyl-1,3-benzoxazol-2-yl)methanol
CID 22062842
5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 135058168
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032
2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
CID 23468057
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
5-phenyl-2-piperidin-1-yl-1,3-benzoxazole
CID 102300837
2-[4-(bromomethyl)phenyl]-5-phenyl-1,3-benzoxazole
CID 50850862
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole
CID 95910362

Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium?
The IUPAC name of 2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium (CID 59968233) is 2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium.
What is the SMILES notation for 2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium?
The canonical SMILES for 2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium is [CH2-]c1nc2cc(-c3ccccc3)ccc2o1.[Y].
What is the InChIKey of 2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium?
The InChIKey is LUVBEJSMLVEYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10NO.Y/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11;/h2-9H,1H2;/q-1;.
What are the key properties of 2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium?
2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium has a molecular weight of 297.15 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium is sourced from PubChem (CID 59968233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).