2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide

C20H24N4O2S — CID 55959114

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)NCCCn1ccnc1C
InChIInChI=1S/C20H24N4O2S/c1-14-18(15(2)26-23-14)13-27-19-8-5-4-7-17(19)20(25)22-9-6-11-24-12-10-21-16(24)3/h4-5,7-8,10,12H,6,9,11,13H2,1-3H3,(H,22,25)
InChIKeyQSRZDUXELYTPOZ-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.91
Rot. Bonds8

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide (PubChem CID 55959114) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
PubChem CID55959114
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)NCCCn1ccnc1C
InChIInChI=1S/C20H24N4O2S/c1-14-18(15(2)26-23-14)13-27-19-8-5-4-7-17(19)20(25)22-9-6-11-24-12-10-21-16(24)3/h4-5,7-8,10,12H,6,9,11,13H2,1-3H3,(H,22,25)
InChIKeyQSRZDUXELYTPOZ-UHFFFAOYSA-N
XLogP3.91
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]benzamide
CID 56558680
N-[3-(dimethylamino)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78781057
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 55806159
N-(3-amino-2-methylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 119997351
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 38166006
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 56558588
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78814232
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-phenylbutyl)benzamide
CID 51190356
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-pentan-3-ylbenzamide
CID 78782472
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 35437433
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 78866804
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 134022129

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide (CID 55959114) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide is Cc1noc(C)c1CSc1ccccc1C(=O)NCCCn1ccnc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide?
The InChIKey is QSRZDUXELYTPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-14-18(15(2)26-23-14)13-27-19-8-5-4-7-17(19)20(25)22-9-6-11-24-12-10-21-16(24)3/h4-5,7-8,10,12H,6,9,11,13H2,1-3H3,(H,22,25).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide has a molecular weight of 384.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 55959114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).