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

C8H13N3O2 — CID 3312981

IUPACN-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCCc1nc(CNC(C)=O)no1
InChIInChI=1S/C8H13N3O2/c1-3-4-8-10-7(11-13-8)5-9-6(2)12/h3-5H2,1-2H3,(H,9,12)
InChIKeyKMZHNLXILAPRIW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.66
Rot. Bonds4

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

N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 3312981) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID3312981
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCCc1nc(CNC(C)=O)no1
InChIInChI=1S/C8H13N3O2/c1-3-4-8-10-7(11-13-8)5-9-6(2)12/h3-5H2,1-2H3,(H,9,12)
InChIKeyKMZHNLXILAPRIW-UHFFFAOYSA-N
XLogP0.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 3312981) is N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CCCc1nc(CNC(C)=O)no1.
What is the InChIKey of N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is KMZHNLXILAPRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-4-8-10-7(11-13-8)5-9-6(2)12/h3-5H2,1-2H3,(H,9,12).
What are the key properties of N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 183.21 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 3312981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).