2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole

C14H12N2O2S — CID 1475102

IUPAC2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1cccc(CSc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C14H12N2O2S/c1-10-4-2-5-11(8-10)9-19-14-16-15-13(18-14)12-6-3-7-17-12/h2-8H,9H2,1H3
InChIKeyTZKSESZBBYDRFY-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.93
Rot. Bonds4

About 2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 1475102) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID1475102
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1cccc(CSc2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C14H12N2O2S/c1-10-4-2-5-11(8-10)9-19-14-16-15-13(18-14)12-6-3-7-17-12/h2-8H,9H2,1H3
InChIKeyTZKSESZBBYDRFY-UHFFFAOYSA-N
XLogP3.93
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
CID 84193
1-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]-7-phenylheptan-1-one
CID 44391726
2-((5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)sulfanyl)acetic acid
CID 912122
8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octan-1-one
CID 44389967
3-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-dimethylpropanamide
CID 851237
1-(2-Chlorophenyl)-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-ethanone
CID 1475096
2-[[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-methoxyphenyl)ethanone
CID 2424786
2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
CID 570879
1-[3-({[5-(2-Furyl)-1,3,4-oxadiazol-2-yl]thio}methyl)-2,4,6-trimethylphenyl]ethanone
CID 600149
2-{[5-(2-Furyl)-1,3,4-oxadiazol-2-yl]thio}-1-(5-methyl-2-furyl)ethanone
CID 676148
2-{[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}-1-(5-methyl-2-furyl)ethanone
CID 676149
2-(4-Ethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole
CID 692974

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 1475102) is 2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole is Cc1cccc(CSc2nnc(-c3ccco3)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is TZKSESZBBYDRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-10-4-2-5-11(8-10)9-19-14-16-15-13(18-14)12-6-3-7-17-12/h2-8H,9H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 272.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 1475102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).