N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide

C15H12FN3O2S — CID 52906366

IUPACN-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cc1nnc(-c2ccsc2)o1
InChIInChI=1S/C15H12FN3O2S/c1-9-2-3-11(16)6-12(9)17-13(20)7-14-18-19-15(21-14)10-4-5-22-8-10/h2-6,8H,7H2,1H3,(H,17,20)
InChIKeyDPZMFCIDUXHAQG-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.43
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide

N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 52906366) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID52906366
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cc1nnc(-c2ccsc2)o1
InChIInChI=1S/C15H12FN3O2S/c1-9-2-3-11(16)6-12(9)17-13(20)7-14-18-19-15(21-14)10-4-5-22-8-10/h2-6,8H,7H2,1H3,(H,17,20)
InChIKeyDPZMFCIDUXHAQG-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-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 2593023
N-(2,5-dimethylphenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4664882
2-{[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16015692
N-(2-Methylphenyl)-2-{[5-(thiophen-2-YL)-1,3,4-oxadiazol-2-YL]sulfanyl}acetamide
CID 2593040
N-(2-fluorophenyl)-2-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906362
3-[3-(1-methyl-1H-pyrazol-5-yl)phenyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 52906365
2-{4-[5-(Thiophen-3-YL)-1,3,4-oxadiazol-2-YL]piperidin-1-YL}-N-[2-(trifluoromethyl)phenyl]acetamide
CID 71793540
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 742618
(2E)-N-{2-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(thiophen-2-yl)prop-2-enamide
CID 16448347
N-(3-(methylthio)phenyl)-2-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 52906367
2-(5-(Thiophen-2-yl)-1,3,4-oxadiazol-2-yl)aniline
CID 84221009
N-(4-fluorophenyl)-2-{[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 2556431

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 52906366) is N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide is Cc1ccc(F)cc1NC(=O)Cc1nnc(-c2ccsc2)o1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is DPZMFCIDUXHAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-9-2-3-11(16)6-12(9)17-13(20)7-14-18-19-15(21-14)10-4-5-22-8-10/h2-6,8H,7H2,1H3,(H,17,20).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-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-(5-fluoro-2-methylphenyl)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 52906366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).