N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide

C15H17N3O3 — CID 108512068

IUPACN'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H17N3O3/c1-4-11-7-5-6-9(2)13(11)17-15(20)14(19)16-12-8-10(3)21-18-12/h5-8H,4H2,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyFJERHEFJNIODMY-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.43
Rot. Bonds3

About N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide

N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 108512068) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID108512068
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H17N3O3/c1-4-11-7-5-6-9(2)13(11)17-15(20)14(19)16-12-8-10(3)21-18-12/h5-8H,4H2,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyFJERHEFJNIODMY-UHFFFAOYSA-N
XLogP2.43
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.43
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,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108850811
N'-(2-ethyl-6-methylphenyl)-N-(4-methyl-2-pyridinyl)oxamide
CID 108512163
5-(2-ethyl-6-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109243738
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812578
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
N-(2,6-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109035848
5-(2,6-diethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109243974
N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108512029
N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108986918
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide
CID 108512119

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 108512068) is N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide is CCc1cccc(C)c1NC(=O)C(=O)Nc1cc(C)on1.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is FJERHEFJNIODMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-4-11-7-5-6-9(2)13(11)17-15(20)14(19)16-12-8-10(3)21-18-12/h5-8H,4H2,1-3H3,(H,17,20)(H,16,18,19).
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 287.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 108512068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).