5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole

C19H15N3O2S — CID 30777405

IUPAC5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CSc3ccc4ccccc4n3)no2)cc1
InChIInChI=1S/C19H15N3O2S/c1-23-15-9-6-14(7-10-15)19-21-17(22-24-19)12-25-18-11-8-13-4-2-3-5-16(13)20-18/h2-11H,12H2,1H3
InChIKeyLLCBLEQPJPURMT-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.59
Rot. Bonds5

About 5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole

5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 30777405) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID30777405
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(CSc3ccc4ccccc4n3)no2)cc1
InChIInChI=1S/C19H15N3O2S/c1-23-15-9-6-14(7-10-15)19-21-17(22-24-19)12-25-18-11-8-13-4-2-3-5-16(13)20-18/h2-11H,12H2,1H3
InChIKeyLLCBLEQPJPURMT-UHFFFAOYSA-N
XLogP4.59
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-ethoxyphenyl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 55553266
5-(4-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531671
5-(4-methoxyphenyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531733
5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 31530857
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
6-chloro-2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-benzoxazole
CID 56522476
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
2-(4-methoxyphenyl)-5-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46435511
3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 27440660
5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 69441988
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoline
CID 69237606

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 30777405) is 5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(CSc3ccc4ccccc4n3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is LLCBLEQPJPURMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-23-15-9-6-14(7-10-15)19-21-17(22-24-19)12-25-18-11-8-13-4-2-3-5-16(13)20-18/h2-11H,12H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 349.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(quinolin-2-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 30777405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).