3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide

C26H30N6O3 — CID 11518499

IUPAC3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(-n5ccnc5)c4)CC3)c2c1
InChIInChI=1S/C26H30N6O3/c1-34-22-7-8-24-23(18-22)25(29-35-24)31-15-13-30(14-16-31)11-3-2-9-28-26(33)20-5-4-6-21(17-20)32-12-10-27-19-32/h4-8,10,12,17-19H,2-3,9,11,13-16H2,1H3,(H,28,33)
InChIKeyYSIFTTPUSXNYII-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.35
Rot. Bonds9

About 3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide

3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide (PubChem CID 11518499) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide
PubChem CID11518499
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(-n5ccnc5)c4)CC3)c2c1
InChIInChI=1S/C26H30N6O3/c1-34-22-7-8-24-23(18-22)25(29-35-24)31-15-13-30(14-16-31)11-3-2-9-28-26(33)20-5-4-6-21(17-20)32-12-10-27-19-32/h4-8,10,12,17-19H,2-3,9,11,13-16H2,1H3,(H,28,33)
InChIKeyYSIFTTPUSXNYII-UHFFFAOYSA-N
XLogP3.35
TPSA88.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-{[2-(4-Amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)ethanone
CID 11772907
N-(3-imidazolylpropyl)[5-(3-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 9550543
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine
CID 71557332
N-cyclohexyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-7-amine
CID 71557333
N-isopropyl-2-(2-methoxy-4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834615
N-tert-butyl-2-(2-methoxy-4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117841255
N-[2-[[3-(3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
CID 146271378
5-(2,5-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]isoxazole-3-carboxamide
CID 3236500
N-(4-(4-(5-methoxybenzo[d]isoxazol-3-yl)piperazin-1-yl)butyl)-3-(pyrimidin-2-yl)benzamide
CID 11496793
N-(4-(4-(5-methoxybenzo[d]isoxazol-3-yl)piperazin-1-yl)butyl)quinoxaline-6-carboxamide
CID 11505572
N-(4-(4-(5-methoxybenzo[d]isoxazol-3-yl)piperazin-1-yl)butyl)benzo[c][1,2,5]oxadiazole-5-carboxamide
CID 11554891
4-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide
CID 11569099

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide (CID 11518499) is 3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide is COc1ccc2onc(N3CCN(CCCCNC(=O)c4cccc(-n5ccnc5)c4)CC3)c2c1.
What is the InChIKey of 3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide?
The InChIKey is YSIFTTPUSXNYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-34-22-7-8-24-23(18-22)25(29-35-24)31-15-13-30(14-16-31)11-3-2-9-28-26(33)20-5-4-6-21(17-20)32-12-10-27-19-32/h4-8,10,12,17-19H,2-3,9,11,13-16H2,1H3,(H,28,33).
What are the key properties of 3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide?
3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide has a molecular weight of 474.57 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 11518499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).