N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide

C11H21N2O2+ — CID 59438957

IUPACN-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC[N+]1=C(CC)OCC1
InChIInChI=1S/C11H21N2O2/c1-4-10(14)12(3)6-7-13-8-9-15-11(13)5-2/h4-9H2,1-3H3/q+1
InChIKeyOSIGGMCCVAPFRG-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.71
Rot. Bonds5

About N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide

N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide (PubChem CID 59438957) has the molecular formula C11H21N2O2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide
PubChem CID59438957
Molecular FormulaC11H21N2O2+
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC NameN-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC[N+]1=C(CC)OCC1
InChIInChI=1S/C11H21N2O2/c1-4-10(14)12(3)6-7-13-8-9-15-11(13)5-2/h4-9H2,1-3H3/q+1
InChIKeyOSIGGMCCVAPFRG-UHFFFAOYSA-N
XLogP0.71
TPSA32.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide?
The IUPAC name of N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide (CID 59438957) is N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide?
The canonical SMILES for N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide is CCC(=O)N(C)CC[N+]1=C(CC)OCC1.
What is the InChIKey of N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide?
The InChIKey is OSIGGMCCVAPFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O2/c1-4-10(14)12(3)6-7-13-8-9-15-11(13)5-2/h4-9H2,1-3H3/q+1.
What are the key properties of N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide?
N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide has a molecular weight of 213.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 59438957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).