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

C21H19FN4O2 — CID 75404721

IUPAC3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide
SMILESCc1cc2cc(NC(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)ccc2[nH]1
InChIInChI=1S/C21H19FN4O2/c1-12-9-14(3-5-17(12)22)21-25-20(28-26-21)8-7-19(27)24-16-4-6-18-15(11-16)10-13(2)23-18/h3-6,9-11,23H,7-8H2,1-2H3,(H,24,27)
InChIKeyIUYWGDKPAAAXDR-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.55
Rot. Bonds5

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

3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide (PubChem CID 75404721) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide
PubChem CID75404721
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide
SMILESCc1cc2cc(NC(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)ccc2[nH]1
InChIInChI=1S/C21H19FN4O2/c1-12-9-14(3-5-17(12)22)21-25-20(28-26-21)8-7-19(27)24-16-4-6-18-15(11-16)10-13(2)23-18/h3-6,9-11,23H,7-8H2,1-2H3,(H,24,27)
InChIKeyIUYWGDKPAAAXDR-UHFFFAOYSA-N
XLogP4.55
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9080473
N-(1H-benzimidazol-2-yl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60547182
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-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55924078
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-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119408374
N-(3-chloro-4-fluorophenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100764102
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257330
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119389757
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 56553250

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide?
The IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide (CID 75404721) is 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide.
What is the SMILES notation for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide?
The canonical SMILES for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide is Cc1cc2cc(NC(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)ccc2[nH]1.
What is the InChIKey of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide?
The InChIKey is IUYWGDKPAAAXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12-9-14(3-5-17(12)22)21-25-20(28-26-21)8-7-19(27)24-16-4-6-18-15(11-16)10-13(2)23-18/h3-6,9-11,23H,7-8H2,1-2H3,(H,24,27).
What are the key properties of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide?
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide has a molecular weight of 378.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1H-indol-5-yl)propanamide is sourced from PubChem (CID 75404721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).