2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H20N4O4 — CID 167906758

IUPAC2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)cc(NC(=O)/C=N/OC(C)C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C17H20N4O4/c1-10-5-11(2)7-14(6-10)19-16(22)9-18-25-13(4)17(23)20-15-8-12(3)24-21-15/h5-9,13H,1-4H3,(H,19,22)(H,20,21,23)/b18-9+
InChIKeyOAIMGNMBUUUKLL-GIJQJNRQSA-N
MW344.37 g/mol
LogP2.57
Rot. Bonds6

About 2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 167906758) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID167906758
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(C)cc(NC(=O)/C=N/OC(C)C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C17H20N4O4/c1-10-5-11(2)7-14(6-10)19-16(22)9-18-25-13(4)17(23)20-15-8-12(3)24-21-15/h5-9,13H,1-4H3,(H,19,22)(H,20,21,23)/b18-9+
InChIKeyOAIMGNMBUUUKLL-GIJQJNRQSA-N
XLogP2.57
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 41013626
(2S)-2-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25355318
2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24511661
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CID 109150712
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 26012027
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483020
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 9384931
(2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41037031
(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
CID 30489995

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 167906758) is 2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(C)cc(NC(=O)/C=N/OC(C)C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is OAIMGNMBUUUKLL-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-10-5-11(2)7-14(6-10)19-16(22)9-18-25-13(4)17(23)20-15-8-12(3)24-21-15/h5-9,13H,1-4H3,(H,19,22)(H,20,21,23)/b18-9+.
What are the key properties of 2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 344.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-(3,5-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 167906758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).