1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide

C16H17FN4O4 — CID 71785378

IUPAC1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide
SMILESCc1nnc(CNC(=O)C2CN(C(=O)COc3ccccc3F)C2)o1
InChIInChI=1S/C16H17FN4O4/c1-10-19-20-14(25-10)6-18-16(23)11-7-21(8-11)15(22)9-24-13-5-3-2-4-12(13)17/h2-5,11H,6-9H2,1H3,(H,18,23)
InChIKeyLLYHCWQWQDDMAL-UHFFFAOYSA-N
MW348.33 g/mol
LogP0.67
Rot. Bonds6

About 1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide

1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide (PubChem CID 71785378) has the molecular formula C16H17FN4O4 and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide
PubChem CID71785378
Molecular FormulaC16H17FN4O4
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide
SMILESCc1nnc(CNC(=O)C2CN(C(=O)COc3ccccc3F)C2)o1
InChIInChI=1S/C16H17FN4O4/c1-10-19-20-14(25-10)6-18-16(23)11-7-21(8-11)15(22)9-24-13-5-3-2-4-12(13)17/h2-5,11H,6-9H2,1H3,(H,18,23)
InChIKeyLLYHCWQWQDDMAL-UHFFFAOYSA-N
XLogP0.67
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide (CID 71785378) is 1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide is Cc1nnc(CNC(=O)C2CN(C(=O)COc3ccccc3F)C2)o1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide?
The InChIKey is LLYHCWQWQDDMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O4/c1-10-19-20-14(25-10)6-18-16(23)11-7-21(8-11)15(22)9-24-13-5-3-2-4-12(13)17/h2-5,11H,6-9H2,1H3,(H,18,23).
What are the key properties of 1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide?
1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)acetyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 71785378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).