5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium

C5H8NOY- — CID 58618695

IUPAC5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium
SMILES[CH2-]C1CC(C)=NO1.[Y]
InChIInChI=1S/C5H8NO.Y/c1-4-3-5(2)7-6-4;/h5H,2-3H2,1H3;/q-1;
InChIKeyNBZMQWHQPQRIEW-UHFFFAOYSA-N
MW187.03 g/mol
LogP0.98
Rot. Bonds

About 5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium

5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium (PubChem CID 58618695) has the molecular formula C5H8NOY- and a molecular weight of 187.03 g/mol. Its IUPAC name is 5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium.

Molecular Properties

Compound Name5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium
PubChem CID58618695
Molecular FormulaC5H8NOY-
Molecular Weight187.03 g/mol
Exact Mass186.97
IUPAC Name5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium
SMILES[CH2-]C1CC(C)=NO1.[Y]
InChIInChI=1S/C5H8NO.Y/c1-4-3-5(2)7-6-4;/h5H,2-3H2,1H3;/q-1;
InChIKeyNBZMQWHQPQRIEW-UHFFFAOYSA-N
XLogP0.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 50.98
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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Frequently Asked Questions

What is the IUPAC name of 5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium?
The IUPAC name of 5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium (CID 58618695) is 5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium.
What is the SMILES notation for 5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium?
The canonical SMILES for 5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium is [CH2-]C1CC(C)=NO1.[Y].
What is the InChIKey of 5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium?
The InChIKey is NBZMQWHQPQRIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO.Y/c1-4-3-5(2)7-6-4;/h5H,2-3H2,1H3;/q-1;.
What are the key properties of 5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium?
5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium has a molecular weight of 187.03 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium is sourced from PubChem (CID 58618695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).