2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide

C12H15N5O2 — CID 107436593

IUPAC2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESCCc1cnccc1-c1noc(CNCC(N)=O)n1
InChIInChI=1S/C12H15N5O2/c1-2-8-5-14-4-3-9(8)12-16-11(19-17-12)7-15-6-10(13)18/h3-5,15H,2,6-7H2,1H3,(H2,13,18)
InChIKeyZFYSMNQEUNOKIZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.27
Rot. Bonds6

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

2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (PubChem CID 107436593) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
PubChem CID107436593
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESCCc1cnccc1-c1noc(CNCC(N)=O)n1
InChIInChI=1S/C12H15N5O2/c1-2-8-5-14-4-3-9(8)12-16-11(19-17-12)7-15-6-10(13)18/h3-5,15H,2,6-7H2,1H3,(H2,13,18)
InChIKeyZFYSMNQEUNOKIZ-UHFFFAOYSA-N
XLogP0.27
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114007003
2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436119
4-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82689072
2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436223
(1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565519
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436449
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436675
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
CID 8772536
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 43465937
(3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912496
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate
CID 114204873

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The IUPAC name of 2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (CID 107436593) is 2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The canonical SMILES for 2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is CCc1cnccc1-c1noc(CNCC(N)=O)n1.
What is the InChIKey of 2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The InChIKey is ZFYSMNQEUNOKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-8-5-14-4-3-9(8)12-16-11(19-17-12)7-15-6-10(13)18/h3-5,15H,2,6-7H2,1H3,(H2,13,18).
What are the key properties of 2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is sourced from PubChem (CID 107436593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).