N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

C16H14FN3O2S — CID 52906373

IUPACN-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)NCc2ccc(F)cc2)o1
InChIInChI=1S/C16H14FN3O2S/c1-10-6-7-23-15(10)16-20-19-14(22-16)8-13(21)18-9-11-2-4-12(17)5-3-11/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyHKDMHRYSHZSWHK-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.10
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 52906373) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID52906373
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)NCc2ccc(F)cc2)o1
InChIInChI=1S/C16H14FN3O2S/c1-10-6-7-23-15(10)16-20-19-14(22-16)8-13(21)18-9-11-2-4-12(17)5-3-11/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyHKDMHRYSHZSWHK-UHFFFAOYSA-N
XLogP3.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 52906373) is N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccsc1-c1nnc(CC(=O)NCc2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is HKDMHRYSHZSWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10-6-7-23-15(10)16-20-19-14(22-16)8-13(21)18-9-11-2-4-12(17)5-3-11/h2-7H,8-9H2,1H3,(H,18,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 52906373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).