2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole

C17H13FN2OS — CID 141479178

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole
SMILESCc1cccc(Sc2nnc(/C=C/c3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H13FN2OS/c1-12-3-2-4-15(11-12)22-17-20-19-16(21-17)10-7-13-5-8-14(18)9-6-13/h2-11H,1H3/b10-7+
InChIKeyUMJXFMPTTCZMJZ-JXMROGBWSA-N
MW312.37 g/mol
LogP4.84
Rot. Bonds4

About 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole

2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole (PubChem CID 141479178) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole
PubChem CID141479178
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole
SMILESCc1cccc(Sc2nnc(/C=C/c3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H13FN2OS/c1-12-3-2-4-15(11-12)22-17-20-19-16(21-17)10-7-13-5-8-14(18)9-6-13/h2-11H,1H3/b10-7+
InChIKeyUMJXFMPTTCZMJZ-JXMROGBWSA-N
XLogP4.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 141479195
acetylene;2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(3-methylphenyl)methyl]-1,3,4-oxadiazole
CID 142315985
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3703705
1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543273
2-[2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 158443365
2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3305182
2-[2-(4-methylphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole
CID 54289722
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
trimethyl-(3-methylphenyl)sulfanylsilane
CID 12755162
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole (CID 141479178) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole is Cc1cccc(Sc2nnc(/C=C/c3ccc(F)cc3)o2)c1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole?
The InChIKey is UMJXFMPTTCZMJZ-JXMROGBWSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-12-3-2-4-15(11-12)22-17-20-19-16(21-17)10-7-13-5-8-14(18)9-6-13/h2-11H,1H3/b10-7+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole?
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole has a molecular weight of 312.37 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 141479178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).