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

C16H16FN5O2 — CID 53178002

IUPACN-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCC(C)c1nc(-c2cn(CC(=O)Nc3ccccc3F)cn2)no1
InChIInChI=1S/C16H16FN5O2/c1-10(2)16-20-15(21-24-16)13-7-22(9-18-13)8-14(23)19-12-6-4-3-5-11(12)17/h3-7,9-10H,8H2,1-2H3,(H,19,23)
InChIKeyMZARXWCIAXVIBA-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.83
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (PubChem CID 53178002) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
PubChem CID53178002
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC NameN-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCC(C)c1nc(-c2cn(CC(=O)Nc3ccccc3F)cn2)no1
InChIInChI=1S/C16H16FN5O2/c1-10(2)16-20-15(21-24-16)13-7-22(9-18-13)8-14(23)19-12-6-4-3-5-11(12)17/h3-7,9-10H,8H2,1-2H3,(H,19,23)
InChIKeyMZARXWCIAXVIBA-UHFFFAOYSA-N
XLogP2.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (CID 53178002) is N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is CC(C)c1nc(-c2cn(CC(=O)Nc3ccccc3F)cn2)no1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The InChIKey is MZARXWCIAXVIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-10(2)16-20-15(21-24-16)13-7-22(9-18-13)8-14(23)19-12-6-4-3-5-11(12)17/h3-7,9-10H,8H2,1-2H3,(H,19,23).
What are the key properties of N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide has a molecular weight of 329.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).