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

C18H13FN6O2 — CID 53177956

IUPACN-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2noc(-c3ccncc3)n2)c1)Nc1ccccc1F
InChIInChI=1S/C18H13FN6O2/c19-13-3-1-2-4-14(13)22-16(26)10-25-9-15(21-11-25)17-23-18(27-24-17)12-5-7-20-8-6-12/h1-9,11H,10H2,(H,22,26)
InChIKeyWZEJYTDJXAYWTN-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.77
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (PubChem CID 53177956) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
PubChem CID53177956
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC NameN-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2noc(-c3ccncc3)n2)c1)Nc1ccccc1F
InChIInChI=1S/C18H13FN6O2/c19-13-3-1-2-4-14(13)22-16(26)10-25-9-15(21-11-25)17-23-18(27-24-17)12-5-7-20-8-6-12/h1-9,11H,10H2,(H,22,26)
InChIKeyWZEJYTDJXAYWTN-UHFFFAOYSA-N
XLogP2.77
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (CID 53177956) is N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is O=C(Cn1cnc(-c2noc(-c3ccncc3)n2)c1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The InChIKey is WZEJYTDJXAYWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-13-3-1-2-4-14(13)22-16(26)10-25-9-15(21-11-25)17-23-18(27-24-17)12-5-7-20-8-6-12/h1-9,11H,10H2,(H,22,26).
What are the key properties of N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide has a molecular weight of 364.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53177956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).