N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

C13H16N2O2S — CID 16879446

IUPACN-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESCCC(C)NC(=O)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C13H16N2O2S/c1-3-9(2)14-13(16)8-10-7-11(17-15-10)12-5-4-6-18-12/h4-7,9H,3,8H2,1-2H3,(H,14,16)
InChIKeyRTFXIBPKPDGROY-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.86
Rot. Bonds5

About N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (PubChem CID 16879446) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
PubChem CID16879446
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESCCC(C)NC(=O)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C13H16N2O2S/c1-3-9(2)14-13(16)8-10-7-11(17-15-10)12-5-4-6-18-12/h4-7,9H,3,8H2,1-2H3,(H,14,16)
InChIKeyRTFXIBPKPDGROY-UHFFFAOYSA-N
XLogP2.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879449
N-(4-ethoxyphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879514
N-(4-methyl-1,3-thiazol-2-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879571
N-[(2R)-1-methoxypropan-2-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 29038507
N-(1,2-oxazol-3-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879574
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 134045410
ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 16879520
N-pyridin-3-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879560
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (CID 16879446) is N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is CCC(C)NC(=O)Cc1cc(-c2cccs2)on1.
What is the InChIKey of N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RTFXIBPKPDGROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-9(2)14-13(16)8-10-7-11(17-15-10)12-5-4-6-18-12/h4-7,9H,3,8H2,1-2H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16879446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).