N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

C12H13N3O2 — CID 46249412

IUPACN-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCNC(=O)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H13N3O2/c1-2-13-10(16)8-11-14-15-12(17-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,16)
InChIKeyWOFMDRBNIHDABU-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.42
Rot. Bonds4

About N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 46249412) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID46249412
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCCNC(=O)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H13N3O2/c1-2-13-10(16)8-11-14-15-12(17-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,16)
InChIKeyWOFMDRBNIHDABU-UHFFFAOYSA-N
XLogP1.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50848219
N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 60695092
N-[(2-chlorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906292
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 50848243
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 86286746
2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid
CID 119192005

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (CID 46249412) is N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is CCNC(=O)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is WOFMDRBNIHDABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-13-10(16)8-11-14-15-12(17-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,16).
What are the key properties of N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.42, 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-phenyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 46249412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).