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

C20H14FN3O2S — CID 53119626

IUPACN-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(-c2noc(-c3ccccc3)n2)s1
InChIInChI=1S/C20H14FN3O2S/c21-15-8-6-13(7-9-15)12-22-19(25)17-11-10-16(27-17)18-23-20(26-24-18)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,25)
InChIKeyQJDHWHOHYCNIPX-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.53
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide (PubChem CID 53119626) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
PubChem CID53119626
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(-c2noc(-c3ccccc3)n2)s1
InChIInChI=1S/C20H14FN3O2S/c21-15-8-6-13(7-9-15)12-22-19(25)17-11-10-16(27-17)18-23-20(26-24-18)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,25)
InChIKeyQJDHWHOHYCNIPX-UHFFFAOYSA-N
XLogP4.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 46388416
5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methylsulfanylphenyl)methyl]thiophene-2-carboxamide
CID 53119527
N-[3-(azepan-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119636
N-[3-(4-ethylpiperazin-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119639
5-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]thiophene-2-carboxamide
CID 53119651
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53119582
N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
CID 133482179
N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119647
N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119628
5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
CID 58968960
N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126134
N-[(4-fluorophenyl)methyl]-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177904

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide (CID 53119626) is N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(-c2noc(-c3ccccc3)n2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The InChIKey is QJDHWHOHYCNIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c21-15-8-6-13(7-9-15)12-22-19(25)17-11-10-16(27-17)18-23-20(26-24-18)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53119626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).