N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H13FN2O2S — CID 33195789

IUPACN-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H13FN2O2S/c17-12-5-2-1-4-11(12)7-8-18-16(20)13-10-14(21-19-13)15-6-3-9-22-15/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyUCLTYGZZAMBVTE-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.51
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 33195789) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID33195789
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H13FN2O2S/c17-12-5-2-1-4-11(12)7-8-18-16(20)13-10-14(21-19-13)15-6-3-9-22-15/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyUCLTYGZZAMBVTE-UHFFFAOYSA-N
XLogP3.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009
3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369074
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305038
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 46354883
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022299
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide;N-(2-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-propyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 159899323
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110693729
N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990205
N-[3-[(6-aminopyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877092
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995799

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 33195789) is N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCc1ccccc1F)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is UCLTYGZZAMBVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-12-5-2-1-4-11(12)7-8-18-16(20)13-10-14(21-19-13)15-6-3-9-22-15/h1-6,9-10H,7-8H2,(H,18,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 33195789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).