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

C12H11F2N3O2 — CID 77088905

IUPAC2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1nnc(CNC(=O)Cc2cc(F)cc(F)c2)o1
InChIInChI=1S/C12H11F2N3O2/c1-7-16-17-12(19-7)6-15-11(18)4-8-2-9(13)5-10(14)3-8/h2-3,5H,4,6H2,1H3,(H,15,18)
InChIKeyCKBIPHSKSJQPMI-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.52
Rot. Bonds4

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

2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 77088905) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID77088905
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1nnc(CNC(=O)Cc2cc(F)cc(F)c2)o1
InChIInChI=1S/C12H11F2N3O2/c1-7-16-17-12(19-7)6-15-11(18)4-8-2-9(13)5-10(14)3-8/h2-3,5H,4,6H2,1H3,(H,15,18)
InChIKeyCKBIPHSKSJQPMI-UHFFFAOYSA-N
XLogP1.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 77088905) is 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is Cc1nnc(CNC(=O)Cc2cc(F)cc(F)c2)o1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is CKBIPHSKSJQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-7-16-17-12(19-7)6-15-11(18)4-8-2-9(13)5-10(14)3-8/h2-3,5H,4,6H2,1H3,(H,15,18).
What are the key properties of 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 267.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 77088905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).