N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C10H13N5O2 — CID 121195122

IUPACN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCCn1cc(-c2noc(CNC(C)=O)n2)cn1
InChIInChI=1S/C10H13N5O2/c1-3-15-6-8(4-12-15)10-13-9(17-14-10)5-11-7(2)16/h4,6H,3,5H2,1-2H3,(H,11,16)
InChIKeyJFYUAFDZQJZZGV-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.59
Rot. Bonds4

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

N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 121195122) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID121195122
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCCn1cc(-c2noc(CNC(C)=O)n2)cn1
InChIInChI=1S/C10H13N5O2/c1-3-15-6-8(4-12-15)10-13-9(17-14-10)5-11-7(2)16/h4,6H,3,5H2,1-2H3,(H,11,16)
InChIKeyJFYUAFDZQJZZGV-UHFFFAOYSA-N
XLogP0.59
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 121195122) is N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CCn1cc(-c2noc(CNC(C)=O)n2)cn1.
What is the InChIKey of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is JFYUAFDZQJZZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-15-6-8(4-12-15)10-13-9(17-14-10)5-11-7(2)16/h4,6H,3,5H2,1-2H3,(H,11,16).
What are the key properties of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 235.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 121195122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).