3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole

C15H16N4OS — CID 134052377

IUPAC3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-n2ccnc2SC(C)c2nc(C)no2)c1
InChIInChI=1S/C15H16N4OS/c1-10-5-4-6-13(9-10)19-8-7-16-15(19)21-11(2)14-17-12(3)18-20-14/h4-9,11H,1-3H3
InChIKeyMWSLGFAOOCQQQL-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.73
Rot. Bonds4

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

3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole (PubChem CID 134052377) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
PubChem CID134052377
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-n2ccnc2SC(C)c2nc(C)no2)c1
InChIInChI=1S/C15H16N4OS/c1-10-5-4-6-13(9-10)19-8-7-16-15(19)21-11(2)14-17-12(3)18-20-14/h4-9,11H,1-3H3
InChIKeyMWSLGFAOOCQQQL-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 46540725
5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole
CID 51954889
5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 51930936
2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole
CID 129255839
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
5-[(1R)-1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
CID 25334654
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
2-[1-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43037199
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 51236326
5-[1-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 43047137
3-methyl-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole
CID 51932779

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole (CID 134052377) is 3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole is Cc1cccc(-n2ccnc2SC(C)c2nc(C)no2)c1.
What is the InChIKey of 3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole?
The InChIKey is MWSLGFAOOCQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-5-4-6-13(9-10)19-8-7-16-15(19)21-11(2)14-17-12(3)18-20-14/h4-9,11H,1-3H3.
What are the key properties of 3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole?
3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole has a molecular weight of 300.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 134052377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).