N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C17H22N4O3 — CID 16891977

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCCc2ccc(N(C)C)cc2)no1
InChIInChI=1S/C17H22N4O3/c1-12-11-15(20-24-12)19-17(23)16(22)18-10-4-5-13-6-8-14(9-7-13)21(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,18,22)(H,19,20,23)
InChIKeyDVJNDTFLVMGBOC-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.74
Rot. Bonds6

About N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 16891977) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID16891977
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCCc2ccc(N(C)C)cc2)no1
InChIInChI=1S/C17H22N4O3/c1-12-11-15(20-24-12)19-17(23)16(22)18-10-4-5-13-6-8-14(9-7-13)21(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,18,22)(H,19,20,23)
InChIKeyDVJNDTFLVMGBOC-UHFFFAOYSA-N
XLogP1.74
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953287
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953837
Cim-0216
CID 42887770
N-(5-methyl-3-isoxazolyl)-N'-(4-methylphenyl)urea
CID 728587
1-(2-Ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-yl)-amide
CID 3160077
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 707003
5-[(5-methyl-3-isoxazolyl)amino]-2-phenyl-5-(trifluoromethyl)-1,5-dihydro-4H-imidazol-4-one
CID 2962149
(2S)-1-benzoyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46872383
(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46873411
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)piperidine-4-carboxamide
CID 46883325
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)-6-hydroxypicolinamide
CID 46883389
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953838

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 16891977) is N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)NCCCc2ccc(N(C)C)cc2)no1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is DVJNDTFLVMGBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-11-15(20-24-12)19-17(23)16(22)18-10-4-5-13-6-8-14(9-7-13)21(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,18,22)(H,19,20,23).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 330.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 16891977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).