3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide

C21H19FN4O3 — CID 46963848

IUPAC3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NCCc2nc(-c3ccccc3)no2)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C21H19FN4O3/c1-21(13-17(25-29-21)14-7-9-16(22)10-8-14)20(27)23-12-11-18-24-19(26-28-18)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,23,27)
InChIKeyNIHNZHNUBJXEHD-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.12
Rot. Bonds6

About 3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 46963848) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID46963848
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NCCc2nc(-c3ccccc3)no2)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C21H19FN4O3/c1-21(13-17(25-29-21)14-7-9-16(22)10-8-14)20(27)23-12-11-18-24-19(26-28-18)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,23,27)
InChIKeyNIHNZHNUBJXEHD-UHFFFAOYSA-N
XLogP3.12
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide (CID 46963848) is 3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)NCCc2nc(-c3ccccc3)no2)CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is NIHNZHNUBJXEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-21(13-17(25-29-21)14-7-9-16(22)10-8-14)20(27)23-12-11-18-24-19(26-28-18)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,23,27).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46963848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).