4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide

C18H22N4O3 — CID 24623669

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide
SMILESCc1noc(C)c1CON=C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H22N4O3/c1-13-17(14(2)25-20-13)12-24-21-16-8-10-22(11-9-16)18(23)19-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,19,23)
InChIKeyZWZAQPQOOLSQCZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.49
Rot. Bonds4

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide (PubChem CID 24623669) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide
PubChem CID24623669
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide
SMILESCc1noc(C)c1CON=C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H22N4O3/c1-13-17(14(2)25-20-13)12-24-21-16-8-10-22(11-9-16)18(23)19-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,19,23)
InChIKeyZWZAQPQOOLSQCZ-UHFFFAOYSA-N
XLogP3.49
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.49
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

4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623620
4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700471
4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623661
4-(2-oxo-2-piperidin-1-ylethoxy)imino-N-phenylpiperidine-1-carboxamide
CID 24623645
4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 18209184
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55621859
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 47022600
4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623627
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine
CID 78989909
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-methyl-2-(phenylcarbamoylamino)butanoate
CID 42899690
4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide
CID 18226822
N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 71881165

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide (CID 24623669) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide is Cc1noc(C)c1CON=C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ZWZAQPQOOLSQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-17(14(2)25-20-13)12-24-21-16-8-10-22(11-9-16)18(23)19-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,19,23).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 24623669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).