5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium

C7H12NO2Y- — CID 59729894

IUPAC5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium
SMILES[CH2-]OCC1(C)CC(C)=NO1.[Y]
InChIInChI=1S/C7H12NO2.Y/c1-6-4-7(2,5-9-3)10-8-6;/h3-5H2,1-2H3;/q-1;
InChIKeyFOOXGAYIITXYNO-UHFFFAOYSA-N
MW231.08 g/mol
LogP1.35
Rot. Bonds2

About 5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium

5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium (PubChem CID 59729894) has the molecular formula C7H12NO2Y- and a molecular weight of 231.08 g/mol. Its IUPAC name is 5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium.

Molecular Properties

Compound Name5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium
PubChem CID59729894
Molecular FormulaC7H12NO2Y-
Molecular Weight231.08 g/mol
Exact Mass230.99
IUPAC Name5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium
SMILES[CH2-]OCC1(C)CC(C)=NO1.[Y]
InChIInChI=1S/C7H12NO2.Y/c1-6-4-7(2,5-9-3)10-8-6;/h3-5H2,1-2H3;/q-1;
InChIKeyFOOXGAYIITXYNO-UHFFFAOYSA-N
XLogP1.35
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 58544115
CID 58544115
CID 58544226
CID 58544226
(5S)-5-(methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 89224807
3-(methoxymethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 123899620
3-(2-Methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
CID 123949702
4-methoxy-3,5,5-trimethyl-4H-1,2-oxazole
CID 140934005
5-(Methoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142863100
7-Methyl-2,5-dioxa-6-azaspiro[3.4]oct-6-ene
CID 146290017
5-(methoxymethyl)-3,5-dimethyl-4H-1,2-oxazole
CID 59729895
(Z)-N-methoxy-2,2-dimethyloxolan-3-imine
CID 133629606

Frequently Asked Questions

What is the IUPAC name of 5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium?
The IUPAC name of 5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium (CID 59729894) is 5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium.
What is the SMILES notation for 5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium?
The canonical SMILES for 5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium is [CH2-]OCC1(C)CC(C)=NO1.[Y].
What is the InChIKey of 5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium?
The InChIKey is FOOXGAYIITXYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO2.Y/c1-6-4-7(2,5-9-3)10-8-6;/h3-5H2,1-2H3;/q-1;.
What are the key properties of 5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium?
5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium has a molecular weight of 231.08 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methanidyloxymethyl)-3,5-dimethyl-4H-1,2-oxazole;yttrium is sourced from PubChem (CID 59729894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).