N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H16FN5O2 — CID 60547182

IUPACN-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1cc(-c2noc(CCC(=O)Nc3nc4ccccc4[nH]3)n2)ccc1F
InChIInChI=1S/C19H16FN5O2/c1-11-10-12(6-7-13(11)20)18-24-17(27-25-18)9-8-16(26)23-19-21-14-4-2-3-5-15(14)22-19/h2-7,10H,8-9H2,1H3,(H2,21,22,23,26)
InChIKeyUTPAEYWGPPHWGW-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.63
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 60547182) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID60547182
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1cc(-c2noc(CCC(=O)Nc3nc4ccccc4[nH]3)n2)ccc1F
InChIInChI=1S/C19H16FN5O2/c1-11-10-12(6-7-13(11)20)18-24-17(27-25-18)9-8-16(26)23-19-21-14-4-2-3-5-15(14)22-19/h2-7,10H,8-9H2,1H3,(H2,21,22,23,26)
InChIKeyUTPAEYWGPPHWGW-UHFFFAOYSA-N
XLogP3.63
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60547152
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60546527
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide
CID 75404721
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 60547444
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide
CID 146154133
N-(3-aminopropyl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119408374
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyphenyl)propanamide
CID 51089496
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18092734
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119389757
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 86970981
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)propanamide
CID 155947117

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 60547182) is N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1cc(-c2noc(CCC(=O)Nc3nc4ccccc4[nH]3)n2)ccc1F.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is UTPAEYWGPPHWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-11-10-12(6-7-13(11)20)18-24-17(27-25-18)9-8-16(26)23-19-21-14-4-2-3-5-15(14)22-19/h2-7,10H,8-9H2,1H3,(H2,21,22,23,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 365.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 60547182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).