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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Related Compounds

N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 138009431
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
CID 103004839
N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
CID 120834493
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
CID 120517076
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103006889
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide
CID 175743887
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087

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).