N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

C15H12FN3O2S — CID 53162061

IUPACN-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)Nc2cccc(F)c2)o1
InChIInChI=1S/C15H12FN3O2S/c1-9-5-6-22-14(9)15-19-18-13(21-15)8-12(20)17-11-4-2-3-10(16)7-11/h2-7H,8H2,1H3,(H,17,20)
InChIKeyJSKZNKJOMDRNBY-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.43
Rot. Bonds4

About N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 53162061) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID53162061
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccsc1-c1nnc(CC(=O)Nc2cccc(F)c2)o1
InChIInChI=1S/C15H12FN3O2S/c1-9-5-6-22-14(9)15-19-18-13(21-15)8-12(20)17-11-4-2-3-10(16)7-11/h2-7H,8H2,1H3,(H,17,20)
InChIKeyJSKZNKJOMDRNBY-UHFFFAOYSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162083
N-(2,6-difluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162073
N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162088
N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 167944282
N-cyclohexyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162107
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95100278
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95100279
N-[(3-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162130
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-fluorophenyl)propanamide
CID 110334681
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9090477
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433890
N-(4-fluoro-3-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906371

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 53162061) is N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccsc1-c1nnc(CC(=O)Nc2cccc(F)c2)o1.
What is the InChIKey of N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is JSKZNKJOMDRNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-9-5-6-22-14(9)15-19-18-13(21-15)8-12(20)17-11-4-2-3-10(16)7-11/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 53162061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).