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

C16H17N3OS — CID 134010930

IUPAC3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CSc2nccn2-c2cccc(C)c2C)no1
InChIInChI=1S/C16H17N3OS/c1-11-5-4-6-15(13(11)3)19-8-7-17-16(19)21-10-14-9-12(2)20-18-14/h4-9H,10H2,1-3H3
InChIKeySSKSZNIBSROKIK-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.08
Rot. Bonds4

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

3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole (PubChem CID 134010930) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
PubChem CID134010930
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CSc2nccn2-c2cccc(C)c2C)no1
InChIInChI=1S/C16H17N3OS/c1-11-5-4-6-15(13(11)3)19-8-7-17-16(19)21-10-14-9-12(2)20-18-14/h4-9H,10H2,1-3H3
InChIKeySSKSZNIBSROKIK-UHFFFAOYSA-N
XLogP4.08
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole
CID 134010501
3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 27025355
3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 24576581
5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 35362373
5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 55552695
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 134010931
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 24579644
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 40669203
7-chloro-2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46641963
1-(2,3-dimethylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole
CID 24579631
5-methyl-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
CID 17390633
1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
CID 134010897

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole (CID 134010930) is 3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole is Cc1cc(CSc2nccn2-c2cccc(C)c2C)no1.
What is the InChIKey of 3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole?
The InChIKey is SSKSZNIBSROKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-5-4-6-15(13(11)3)19-8-7-17-16(19)21-10-14-9-12(2)20-18-14/h4-9H,10H2,1-3H3.
What are the key properties of 3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole?
3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole has a molecular weight of 299.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 134010930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).