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

C11H10FN3O2 — CID 16917491

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C11H10FN3O2/c1-7(16)13-11-15-14-10(17-11)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyLBYPPAMQQYWMQE-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.76
Rot. Bonds3

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

N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 16917491) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID16917491
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C11H10FN3O2/c1-7(16)13-11-15-14-10(17-11)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyLBYPPAMQQYWMQE-UHFFFAOYSA-N
XLogP1.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 16917491) is N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is CC(=O)Nc1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is LBYPPAMQQYWMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-7(16)13-11-15-14-10(17-11)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,15,16).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 235.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 16917491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).