3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium

C11H18N2O2Y-2 — CID 159279107

IUPAC3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium
SMILESC[N-]C(=O)CCc1noc(C)c1C.[CH2-]C.[Y]
InChIInChI=1S/C9H14N2O2.C2H5.Y/c1-6-7(2)13-11-8(6)4-5-9(12)10-3;1-2;/h4-5H2,1-3H3,(H,10,12);1H2,2H3;/q;-1;/p-1
InChIKeyOXVQHMIXWBYIIX-UHFFFAOYSA-M
MW299.18 g/mol
LogP2.59
Rot. Bonds3

About 3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium

3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium (PubChem CID 159279107) has the molecular formula C11H18N2O2Y-2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium
PubChem CID159279107
Molecular FormulaC11H18N2O2Y-2
Molecular Weight299.18 g/mol
Exact Mass299.04
IUPAC Name3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium
SMILESC[N-]C(=O)CCc1noc(C)c1C.[CH2-]C.[Y]
InChIInChI=1S/C9H14N2O2.C2H5.Y/c1-6-7(2)13-11-8(6)4-5-9(12)10-3;1-2;/h4-5H2,1-3H3,(H,10,12);1H2,2H3;/q;-1;/p-1
InChIKeyOXVQHMIXWBYIIX-UHFFFAOYSA-M
XLogP2.59
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 52.59
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

ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium
CID 162203367
3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoic acid
CID 4621886
4-arsoroso-5-methyl-3-propyl-1,2-oxazole
CID 59067329
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide
CID 170582724
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541
1-(4,5-dimethyl-1,2-oxazol-3-yl)propan-2-amine
CID 82416563
3-chloro-4,5-dimethyl-1,2-oxazole
CID 12746085
2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid
CID 12588241

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium?
The IUPAC name of 3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium (CID 159279107) is 3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium.
What is the SMILES notation for 3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium?
The canonical SMILES for 3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium is C[N-]C(=O)CCc1noc(C)c1C.[CH2-]C.[Y].
What is the InChIKey of 3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium?
The InChIKey is OXVQHMIXWBYIIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14N2O2.C2H5.Y/c1-6-7(2)13-11-8(6)4-5-9(12)10-3;1-2;/h4-5H2,1-3H3,(H,10,12);1H2,2H3;/q;-1;/p-1.
What are the key properties of 3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium?
3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium has a molecular weight of 299.18 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoyl-methylazanide;ethane;yttrium is sourced from PubChem (CID 159279107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).