2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide

C12H20N2O2 — CID 90537585

IUPAC2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1cc(C)no1
InChIInChI=1S/C12H20N2O2/c1-4-10(5-2)12(15)13-7-6-11-8-9(3)14-16-11/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyMCCJWNLOEYZWGC-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.08
Rot. Bonds6

About 2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide

2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide (PubChem CID 90537585) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
PubChem CID90537585
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1cc(C)no1
InChIInChI=1S/C12H20N2O2/c1-4-10(5-2)12(15)13-7-6-11-8-9(3)14-16-11/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyMCCJWNLOEYZWGC-UHFFFAOYSA-N
XLogP2.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
4-(dimethylamino)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537724
4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 175958266
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiadiazole-5-carboxamide
CID 90537705
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714
2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537631
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 71789691
2,3-dimethoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537616
2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide
CID 110666460
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide
CID 90537785

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide (CID 90537585) is 2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide is CCC(CC)C(=O)NCCc1cc(C)no1.
What is the InChIKey of 2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide?
The InChIKey is MCCJWNLOEYZWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-10(5-2)12(15)13-7-6-11-8-9(3)14-16-11/h8,10H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide?
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide has a molecular weight of 224.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 90537585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).