N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide

C10H15N3O3 — CID 44996041

IUPACN'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1cc(C)on1
InChIInChI=1S/C10H15N3O3/c1-4-6(2)11-9(14)10(15)12-8-5-7(3)16-13-8/h5-6H,4H2,1-3H3,(H,11,14)(H,12,13,15)
InChIKeyYIOAPIVXCWOABW-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.84
Rot. Bonds3

About N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide

N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 44996041) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID44996041
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1cc(C)on1
InChIInChI=1S/C10H15N3O3/c1-4-6(2)11-9(14)10(15)12-8-5-7(3)16-13-8/h5-6H,4H2,1-3H3,(H,11,14)(H,12,13,15)
InChIKeyYIOAPIVXCWOABW-UHFFFAOYSA-N
XLogP0.84
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51959353
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 47263951
N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47205589
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide
CID 131961427
6-(butan-2-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109340762
2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947783
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
2-(butan-2-ylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109321368
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 44996041) is N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide is CCC(C)NC(=O)C(=O)Nc1cc(C)on1.
What is the InChIKey of N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is YIOAPIVXCWOABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-6(2)11-9(14)10(15)12-8-5-7(3)16-13-8/h5-6H,4H2,1-3H3,(H,11,14)(H,12,13,15).
What are the key properties of N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 225.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 44996041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).