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

C14H23N3O3 — CID 47205589

IUPACN-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H23N3O3/c1-4-6-7-11(5-2)9-15-13(18)14(19)16-12-8-10(3)20-17-12/h8,11H,4-7,9H2,1-3H3,(H,15,18)(H,16,17,19)
InChIKeyACTXTUSQQICQIO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.25
Rot. Bonds7

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

N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 47205589) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID47205589
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H23N3O3/c1-4-6-7-11(5-2)9-15-13(18)14(19)16-12-8-10(3)20-17-12/h8,11H,4-7,9H2,1-3H3,(H,15,18)(H,16,17,19)
InChIKeyACTXTUSQQICQIO-UHFFFAOYSA-N
XLogP2.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.25
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'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
CID 4272614
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
N-(2-ethylhexyl)-N'-(1,3-thiazol-5-yl)oxamide
CID 17201967
N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 3116902
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
CID 2291750
N-(3-chloropropyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108513695
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71803885
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 97417837

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 47205589) is N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is CCCCC(CC)CNC(=O)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is ACTXTUSQQICQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-6-7-11(5-2)9-15-13(18)14(19)16-12-8-10(3)20-17-12/h8,11H,4-7,9H2,1-3H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 281.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 47205589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).