N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium

C13H15N2O2Y- — CID 59073098

IUPACN-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium
SMILESCC(=O)Nc1[c-]cc2nc(C(C)(C)C)oc2c1.[Y]
InChIInChI=1S/C13H15N2O2.Y/c1-8(16)14-9-5-6-10-11(7-9)17-12(15-10)13(2,3)4;/h6-7H,1-4H3,(H,14,16);/q-1;
InChIKeyVKJLTQLWKAFMTO-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.88
Rot. Bonds1

About N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium

N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium (PubChem CID 59073098) has the molecular formula C13H15N2O2Y- and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium.

Molecular Properties

Compound NameN-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium
PubChem CID59073098
Molecular FormulaC13H15N2O2Y-
Molecular Weight320.18 g/mol
Exact Mass320.02
IUPAC NameN-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium
SMILESCC(=O)Nc1[c-]cc2nc(C(C)(C)C)oc2c1.[Y]
InChIInChI=1S/C13H15N2O2.Y/c1-8(16)14-9-5-6-10-11(7-9)17-12(15-10)13(2,3)4;/h6-7H,1-4H3,(H,14,16);/q-1;
InChIKeyVKJLTQLWKAFMTO-UHFFFAOYSA-N
XLogP2.88
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium?
The IUPAC name of N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium (CID 59073098) is N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium.
What is the SMILES notation for N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium?
The canonical SMILES for N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium is CC(=O)Nc1[c-]cc2nc(C(C)(C)C)oc2c1.[Y].
What is the InChIKey of N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium?
The InChIKey is VKJLTQLWKAFMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2O2.Y/c1-8(16)14-9-5-6-10-11(7-9)17-12(15-10)13(2,3)4;/h6-7H,1-4H3,(H,14,16);/q-1;.
What are the key properties of N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium?
N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium has a molecular weight of 320.18 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium is sourced from PubChem (CID 59073098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).