3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

C14H16FN3O2S — CID 51100384

IUPAC3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1noc(C(C)NC(=O)CCSc2ccccc2F)n1
InChIInChI=1S/C14H16FN3O2S/c1-9(14-17-10(2)18-20-14)16-13(19)7-8-21-12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyHJHZNQXSCMGZKQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.88
Rot. Bonds6

About 3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 51100384) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID51100384
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1noc(C(C)NC(=O)CCSc2ccccc2F)n1
InChIInChI=1S/C14H16FN3O2S/c1-9(14-17-10(2)18-20-14)16-13(19)7-8-21-12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyHJHZNQXSCMGZKQ-UHFFFAOYSA-N
XLogP2.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 51100384) is 3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is Cc1noc(C(C)NC(=O)CCSc2ccccc2F)n1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is HJHZNQXSCMGZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-9(14-17-10(2)18-20-14)16-13(19)7-8-21-12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 51100384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).