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

C19H16FN5O2 — CID 60547152

IUPACN-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4[nH]3)n2)cc1F
InChIInChI=1S/C19H16FN5O2/c1-11-6-7-12(10-13(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)
InChIKeyHZTHKVUMZKSESX-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.63
Rot. Bonds5

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

N-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 60547152) 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-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID60547152
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4[nH]3)n2)cc1F
InChIInChI=1S/C19H16FN5O2/c1-11-6-7-12(10-13(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)
InChIKeyHZTHKVUMZKSESX-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-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60547182
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60546527
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyphenyl)propanamide
CID 51089496
N-(4-acetylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60547348
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-iodophenyl)propanamide
CID 55925235
N-(3-aminopropyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406192
N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55924078
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2-methoxyphenoxy)phenyl]propanamide
CID 55925263
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55923884
4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 60546123
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 55925508
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55960120

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 60547152) is N-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4[nH]3)n2)cc1F.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is HZTHKVUMZKSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-11-6-7-12(10-13(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-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(1H-benzimidazol-2-yl)-3-[3-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 60547152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).