2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide

C12H20N2O4 — CID 114243431

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)CCOCCO
InChIInChI=1S/C12H20N2O4/c1-9-11(10(2)18-13-9)8-12(16)14(3)4-6-17-7-5-15/h15H,4-8H2,1-3H3
InChIKeyLTFQVTATLVGOHN-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.30
Rot. Bonds7

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide (PubChem CID 114243431) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
PubChem CID114243431
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)CCOCCO
InChIInChI=1S/C12H20N2O4/c1-9-11(10(2)18-13-9)8-12(16)14(3)4-6-17-7-5-15/h15H,4-8H2,1-3H3
InChIKeyLTFQVTATLVGOHN-UHFFFAOYSA-N
XLogP0.30
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
CID 54979990
methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
CID 43407679
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide
CID 78847325
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199241
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97313614
ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate
CID 61008485
N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 154739082
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 75459712
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[2-(dimethylamino)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 31337042

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide (CID 114243431) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide is Cc1noc(C)c1CC(=O)N(C)CCOCCO.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The InChIKey is LTFQVTATLVGOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9-11(10(2)18-13-9)8-12(16)14(3)4-6-17-7-5-15/h15H,4-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide has a molecular weight of 256.30 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 114243431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).