4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole

C21H19N3OS — CID 24666105

IUPAC4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CSc3nccn3Cc3ccccc3)co2)cc1
InChIInChI=1S/C21H19N3OS/c1-16-7-9-18(10-8-16)20-23-19(14-25-20)15-26-21-22-11-12-24(21)13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3
InChIKeyATGFRKMNAIPBQR-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.19
Rot. Bonds6

About 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole

4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 24666105) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
PubChem CID24666105
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CSc3nccn3Cc3ccccc3)co2)cc1
InChIInChI=1S/C21H19N3OS/c1-16-7-9-18(10-8-16)20-23-19(14-25-20)15-26-21-22-11-12-24(21)13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3
InChIKeyATGFRKMNAIPBQR-UHFFFAOYSA-N
XLogP5.19
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 16601807
2-(4-methylphenyl)-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 32787581
4-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 32891357
1-benzyl-2-[(4-chlorophenyl)methylsulfanyl]imidazole
CID 788065
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666094
4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 31716720
2-[(1-benzylimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 71378670
N-(4-acetamidophenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151038
3-(4-chlorophenyl)-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 84601156
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111591468
4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 31932042
2-(4-methylphenyl)-4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,3-oxazole
CID 32993711

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole (CID 24666105) is 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2nc(CSc3nccn3Cc3ccccc3)co2)cc1.
What is the InChIKey of 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is ATGFRKMNAIPBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-16-7-9-18(10-8-16)20-23-19(14-25-20)15-26-21-22-11-12-24(21)13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3.
What are the key properties of 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole?
4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 361.47 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 24666105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).