N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide

C20H13FN2O2S — CID 177345266

IUPACN-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(-c2cccc(-c3ccsc3)c2)no1
InChIInChI=1S/C20H13FN2O2S/c21-16-5-2-6-17(10-16)22-20(24)19-11-18(23-25-19)14-4-1-3-13(9-14)15-7-8-26-12-15/h1-12H,(H,22,24)
InChIKeyRTIXIQFHFBCATJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.46
Rot. Bonds4

About N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide

N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 177345266) has the molecular formula C20H13FN2O2S and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID177345266
Molecular FormulaC20H13FN2O2S
Molecular Weight364.40 g/mol
Exact Mass364.07
IUPAC NameN-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(-c2cccc(-c3ccsc3)c2)no1
InChIInChI=1S/C20H13FN2O2S/c21-16-5-2-6-17(10-16)22-20(24)19-11-18(23-25-19)14-4-1-3-13(9-14)15-7-8-26-12-15/h1-12H,(H,22,24)
InChIKeyRTIXIQFHFBCATJ-UHFFFAOYSA-N
XLogP5.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
3-fluoro-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143326
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
3-(3-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 43068966
N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068883
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471110
3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 46472508
N-(2-tert-butylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068926
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46975857
3-(3-fluorophenyl)thiophene
CID 7010737
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
CID 171781557

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide (CID 177345266) is N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(F)c1)c1cc(-c2cccc(-c3ccsc3)c2)no1.
What is the InChIKey of N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RTIXIQFHFBCATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2S/c21-16-5-2-6-17(10-16)22-20(24)19-11-18(23-25-19)14-4-1-3-13(9-14)15-7-8-26-12-15/h1-12H,(H,22,24).
What are the key properties of N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide?
N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 177345266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).