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

C14H23N3O3 — CID 47263951

IUPACN-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCc1cc(NC(=O)C(=O)N(CC(C)C)CC(C)C)no1
InChIInChI=1S/C14H23N3O3/c1-9(2)7-17(8-10(3)4)14(19)13(18)15-12-6-11(5)20-16-12/h6,9-10H,7-8H2,1-5H3,(H,15,16,18)
InChIKeyAKICKBCIKIFFTM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.06
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide (PubChem CID 47263951) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide
PubChem CID47263951
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCc1cc(NC(=O)C(=O)N(CC(C)C)CC(C)C)no1
InChIInChI=1S/C14H23N3O3/c1-9(2)7-17(8-10(3)4)14(19)13(18)15-12-6-11(5)20-16-12/h6,9-10H,7-8H2,1-5H3,(H,15,16,18)
InChIKeyAKICKBCIKIFFTM-UHFFFAOYSA-N
XLogP2.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-methoxyphenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylpropyl)oxamide
CID 46993888
2-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813520
3-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)butanamide
CID 42768880
3-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113116105
N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47263973
2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768892
2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769235
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 813521
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide
CID 50976253
2-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 4167041

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide (CID 47263951) is N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide is Cc1cc(NC(=O)C(=O)N(CC(C)C)CC(C)C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide?
The InChIKey is AKICKBCIKIFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)7-17(8-10(3)4)14(19)13(18)15-12-6-11(5)20-16-12/h6,9-10H,7-8H2,1-5H3,(H,15,16,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide?
N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide has a molecular weight of 281.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide is sourced from PubChem (CID 47263951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).