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

C22H23FN4O2 — CID 98065267

IUPAC2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCC1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C22H23FN4O2/c23-18-6-2-1-5-17(18)13-20(28)25-14-15-8-10-16(11-9-15)21-26-27-22(29-21)19-7-3-4-12-24-19/h1-7,12,15-16H,8-11,13-14H2,(H,25,28)
InChIKeyQRLZIZSETBQYSF-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.90
Rot. Bonds6

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

2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (PubChem CID 98065267) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
PubChem CID98065267
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCC1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C22H23FN4O2/c23-18-6-2-1-5-17(18)13-20(28)25-14-15-8-10-16(11-9-15)21-26-27-22(29-21)19-7-3-4-12-24-19/h1-7,12,15-16H,8-11,13-14H2,(H,25,28)
InChIKeyQRLZIZSETBQYSF-UHFFFAOYSA-N
XLogP3.90
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide (CID 98065267) is 2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is O=C(Cc1ccccc1F)NCC1CCC(c2nnc(-c3ccccn3)o2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
The InChIKey is QRLZIZSETBQYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-6-2-1-5-17(18)13-20(28)25-14-15-8-10-16(11-9-15)21-26-27-22(29-21)19-7-3-4-12-24-19/h1-7,12,15-16H,8-11,13-14H2,(H,25,28).
What are the key properties of 2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide?
2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).