5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

C12H13FN2OS — CID 134040236

IUPAC5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN2OS/c1-2-3-11-14-12(16-15-11)8-17-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyHIWBQWZZNYEUEQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.45
Rot. Bonds5

About 5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 134040236) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID134040236
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN2OS/c1-2-3-11-14-12(16-15-11)8-17-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyHIWBQWZZNYEUEQ-UHFFFAOYSA-N
XLogP3.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 66066526
1-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 66066325
4-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 66070111
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-2-fluoroaniline
CID 79141031
3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 66072592
1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol
CID 64665733
3,5-bis[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 20566315
N-ethyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanamine
CID 64665074
3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157784
1-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 66073010
N-ethyl-3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 66066723
5-[(4-fluorophenyl)sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 55530125

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (CID 134040236) is 5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is HIWBQWZZNYEUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-2-3-11-14-12(16-15-11)8-17-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 252.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 134040236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).