N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide

C16H19N3O3 — CID 42923822

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide
SMILESCCC(O/N=C/c1ccccc1C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H19N3O3/c1-4-14(16(20)18-15-9-12(3)21-19-15)22-17-10-13-8-6-5-7-11(13)2/h5-10,14H,4H2,1-3H3,(H,18,19,20)/b17-10+
InChIKeyMBJWUMPVSNMKNM-LICLKQGHSA-N
MW301.35 g/mol
LogP3.06
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide (PubChem CID 42923822) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide
PubChem CID42923822
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide
SMILESCCC(O/N=C/c1ccccc1C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H19N3O3/c1-4-14(16(20)18-15-9-12(3)21-19-15)22-17-10-13-8-6-5-7-11(13)2/h5-10,14H,4H2,1-3H3,(H,18,19,20)/b17-10+
InChIKeyMBJWUMPVSNMKNM-LICLKQGHSA-N
XLogP3.06
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (E)-3-phenylprop-2-enoate
CID 46683493
2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17425921
2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 17430036
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-methyl-6-nitrobenzoate
CID 40938457
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
CID 24533971
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40810164
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 24533964
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(methylamino)benzoate
CID 16572251
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-iodobenzoate
CID 46644211
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24533965
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,5-dimethylbenzoate
CID 41037166
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (2S)-2-benzamido-3-methylbutanoate
CID 16571886

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide (CID 42923822) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide is CCC(O/N=C/c1ccccc1C)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide?
The InChIKey is MBJWUMPVSNMKNM-LICLKQGHSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-14(16(20)18-15-9-12(3)21-19-15)22-17-10-13-8-6-5-7-11(13)2/h5-10,14H,4H2,1-3H3,(H,18,19,20)/b17-10+.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide has a molecular weight of 301.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(E)-(2-methylphenyl)methylideneamino]oxybutanamide is sourced from PubChem (CID 42923822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).