4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C17H14FN3O2S — CID 43973931

IUPAC4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCSc1ccc(Cc2nnc(NC(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H14FN3O2S/c1-24-14-8-2-11(3-9-14)10-15-20-21-17(23-15)19-16(22)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyQILAKKHDXFDQSB-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.77
Rot. Bonds5

About 4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43973931) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43973931
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCSc1ccc(Cc2nnc(NC(=O)c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H14FN3O2S/c1-24-14-8-2-11(3-9-14)10-15-20-21-17(23-15)19-16(22)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyQILAKKHDXFDQSB-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43973931) is 4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CSc1ccc(Cc2nnc(NC(=O)c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is QILAKKHDXFDQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-24-14-8-2-11(3-9-14)10-15-20-21-17(23-15)19-16(22)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of 4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 343.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43973931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).