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

C13H19N5O2 — CID 127919726

IUPACN-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(CCc2ccnn2C)n1
InChIInChI=1S/C13H19N5O2/c1-9(19)16-13(2,3)12-15-11(20-17-12)6-5-10-7-8-14-18(10)4/h7-8H,5-6H2,1-4H3,(H,16,19)
InChIKeyWMYNKULTFNYCRC-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.96
Rot. Bonds5

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

N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 127919726) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID127919726
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(CCc2ccnn2C)n1
InChIInChI=1S/C13H19N5O2/c1-9(19)16-13(2,3)12-15-11(20-17-12)6-5-10-7-8-14-18(10)4/h7-8H,5-6H2,1-4H3,(H,16,19)
InChIKeyWMYNKULTFNYCRC-UHFFFAOYSA-N
XLogP0.96
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 127919726) is N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(CCc2ccnn2C)n1.
What is the InChIKey of N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is WMYNKULTFNYCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9(19)16-13(2,3)12-15-11(20-17-12)6-5-10-7-8-14-18(10)4/h7-8H,5-6H2,1-4H3,(H,16,19).
What are the key properties of N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 277.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 127919726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).