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

C12H12FN3O2 — CID 50848219

IUPACN-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCNC(=O)Cc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C12H12FN3O2/c1-2-14-10(17)7-11-15-16-12(18-11)8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H,14,17)
InChIKeyFPMBMPRDINSLTQ-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.55
Rot. Bonds4

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

N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 50848219) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID50848219
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC NameN-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCNC(=O)Cc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C12H12FN3O2/c1-2-14-10(17)7-11-15-16-12(18-11)8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H,14,17)
InChIKeyFPMBMPRDINSLTQ-UHFFFAOYSA-N
XLogP1.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412
3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol
CID 82127841
N-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163805
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448
N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 60695092
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321819
N-[(2-fluorophenyl)methyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334300
2-(4-ethoxyphenoxy)-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972013
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549
5-(3-fluorophenyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 69190721
5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 50848219) is N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide is CCNC(=O)Cc1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is FPMBMPRDINSLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-14-10(17)7-11-15-16-12(18-11)8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H,14,17).
What are the key properties of N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 249.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 50848219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).