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

C14H14N4OS — CID 46540725

IUPAC3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-n2ccnc2SCc2nc(C)no2)c1
InChIInChI=1S/C14H14N4OS/c1-10-4-3-5-12(8-10)18-7-6-15-14(18)20-9-13-16-11(2)17-19-13/h3-8H,9H2,1-2H3
InChIKeyJMWSRFVPYCYSJH-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.16
Rot. Bonds4

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

3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 46540725) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID46540725
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-n2ccnc2SCc2nc(C)no2)c1
InChIInChI=1S/C14H14N4OS/c1-10-4-3-5-12(8-10)18-7-6-15-14(18)20-9-13-16-11(2)17-19-13/h3-8H,9H2,1-2H3
InChIKeyJMWSRFVPYCYSJH-UHFFFAOYSA-N
XLogP3.16
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 31057163
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 134052377
2-(4-methoxyphenyl)-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 33011957
2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole
CID 129255839
5-[3-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 47016364
3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 33232773
4-methoxy-3-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]benzaldehyde
CID 46479695
(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol
CID 99773691
1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33298554
5-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 18291133
2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 18139087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 46540725) is 3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole is Cc1cccc(-n2ccnc2SCc2nc(C)no2)c1.
What is the InChIKey of 3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is JMWSRFVPYCYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-10-4-3-5-12(8-10)18-7-6-15-14(18)20-9-13-16-11(2)17-19-13/h3-8H,9H2,1-2H3.
What are the key properties of 3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 286.36 g/mol, XLogP of 3.16, 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-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46540725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).