2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole

C15H16N4OS — CID 18139087

IUPAC2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CSc2nccn2-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C15H16N4OS/c1-10-4-5-13(8-11(10)2)19-7-6-16-15(19)21-9-14-18-17-12(3)20-14/h4-8H,9H2,1-3H3
InChIKeySMSNOBHCODRTPF-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.47
Rot. Bonds4

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

2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 18139087) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID18139087
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CSc2nccn2-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C15H16N4OS/c1-10-4-5-13(8-11(10)2)19-7-6-16-15(19)21-9-14-18-17-12(3)20-14/h4-8H,9H2,1-3H3
InChIKeySMSNOBHCODRTPF-UHFFFAOYSA-N
XLogP3.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 30037146
1-(3,4-dimethylphenyl)-2-prop-2-enylsulfanylimidazole
CID 134042123
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 17466158
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17470138
2-(4-methoxyphenyl)-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 33011957
1-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 33297170
tert-butyl 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetate
CID 134058214
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 40657989
2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 24597534
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 134010931
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 30802029
5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 31057163

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (CID 18139087) is 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CSc2nccn2-c2ccc(C)c(C)c2)o1.
What is the InChIKey of 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is SMSNOBHCODRTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-4-5-13(8-11(10)2)19-7-6-16-15(19)21-9-14-18-17-12(3)20-14/h4-8H,9H2,1-3H3.
What are the key properties of 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 300.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 18139087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).