N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide

C9H16N2O2 — CID 57023744

IUPACN-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide
SMILESCCCC(=O)NC1=NCC(CC)O1
InChIInChI=1S/C9H16N2O2/c1-3-5-8(12)11-9-10-6-7(4-2)13-9/h7H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyOFFDGMBZYJCNGR-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.07
Rot. Bonds3

About N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide

N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide (PubChem CID 57023744) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide
PubChem CID57023744
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide
SMILESCCCC(=O)NC1=NCC(CC)O1
InChIInChI=1S/C9H16N2O2/c1-3-5-8(12)11-9-10-6-7(4-2)13-9/h7H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyOFFDGMBZYJCNGR-UHFFFAOYSA-N
XLogP1.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide (CID 57023744) is N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide is CCCC(=O)NC1=NCC(CC)O1.
What is the InChIKey of N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide?
The InChIKey is OFFDGMBZYJCNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-5-8(12)11-9-10-6-7(4-2)13-9/h7H,3-6H2,1-2H3,(H,10,11,12).
What are the key properties of N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide?
N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide has a molecular weight of 184.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 57023744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).