N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide

C15H14FN5O2S — CID 25283224

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)nn1C
InChIInChI=1S/C15H14FN5O2S/c1-9-7-12(20-21(9)2)14-18-19-15(23-14)17-13(22)8-24-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,17,19,22)
InChIKeyXWOVZFCCMNYZFH-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.65
Rot. Bonds5

About N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide

N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 25283224) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID25283224
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)nn1C
InChIInChI=1S/C15H14FN5O2S/c1-9-7-12(20-21(9)2)14-18-19-15(23-14)17-13(22)8-24-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,17,19,22)
InChIKeyXWOVZFCCMNYZFH-UHFFFAOYSA-N
XLogP2.65
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide (CID 25283224) is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide is Cc1cc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)nn1C.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is XWOVZFCCMNYZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-9-7-12(20-21(9)2)14-18-19-15(23-14)17-13(22)8-24-11-5-3-10(16)4-6-11/h3-7H,8H2,1-2H3,(H,17,19,22).
What are the key properties of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 347.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 25283224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).