4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole

C21H19N3OS — CID 16601807

IUPAC4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole
SMILESCc1cc(C)cc(-n2ccnc2SCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H19N3OS/c1-15-10-16(2)12-19(11-15)24-9-8-22-21(24)26-14-18-13-25-20(23-18)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKeyKYMSDDQQVRXXQR-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.44
Rot. Bonds5

About 4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole

4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole (PubChem CID 16601807) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole
PubChem CID16601807
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole
SMILESCc1cc(C)cc(-n2ccnc2SCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H19N3OS/c1-15-10-16(2)12-19(11-15)24-9-8-22-21(24)26-14-18-13-25-20(23-18)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKeyKYMSDDQQVRXXQR-UHFFFAOYSA-N
XLogP5.44
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-benzylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666105
2-(4-methylphenyl)-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 32787581
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
CID 33298165
4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 2561366
2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 55477363
5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
CID 71898773
4-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 31723229
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
2-(3-chlorophenyl)-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 33276621
2-(4-methylphenyl)-4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,3-oxazole
CID 32993711
2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole
CID 18130908
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4166755

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole (CID 16601807) is 4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole is Cc1cc(C)cc(-n2ccnc2SCc2coc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole?
The InChIKey is KYMSDDQQVRXXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15-10-16(2)12-19(11-15)24-9-8-22-21(24)26-14-18-13-25-20(23-18)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3.
What are the key properties of 4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole?
4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole has a molecular weight of 361.47 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 16601807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).