3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole

C18H20N4OS — CID 167791576

IUPAC3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole
SMILESCSCc1ccc(-c2noc(C3CCn4cc(C)nc4C3)n2)cc1
InChIInChI=1S/C18H20N4OS/c1-12-10-22-8-7-15(9-16(22)19-12)18-20-17(21-23-18)14-5-3-13(4-6-14)11-24-2/h3-6,10,15H,7-9,11H2,1-2H3
InChIKeySKSBAZAYZDVENS-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.83
Rot. Bonds4

About 3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole

3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole (PubChem CID 167791576) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole
PubChem CID167791576
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole
SMILESCSCc1ccc(-c2noc(C3CCn4cc(C)nc4C3)n2)cc1
InChIInChI=1S/C18H20N4OS/c1-12-10-22-8-7-15(9-16(22)19-12)18-20-17(21-23-18)14-5-3-13(4-6-14)11-24-2/h3-6,10,15H,7-9,11H2,1-2H3
InChIKeySKSBAZAYZDVENS-UHFFFAOYSA-N
XLogP3.83
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849680
1-[(3R)-3-[3-[3-(methylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 100690604
3-(6-methoxy-3-pyridinyl)-5-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1,2,4-oxadiazole
CID 99838236
5-(3-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 67300245
(3-methyl-1,2-oxazol-5-yl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91946404
N-[4-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53130348
3-(4-methylphenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830116
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849658
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
3-(1,3-benzodioxol-5-yl)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 91946410

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole (CID 167791576) is 3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole is CSCc1ccc(-c2noc(C3CCn4cc(C)nc4C3)n2)cc1.
What is the InChIKey of 3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole?
The InChIKey is SKSBAZAYZDVENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-10-22-8-7-15(9-16(22)19-12)18-20-17(21-23-18)14-5-3-13(4-6-14)11-24-2/h3-6,10,15H,7-9,11H2,1-2H3.
What are the key properties of 3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole?
3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole has a molecular weight of 340.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167791576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).