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

C8H14N4O2 — CID 157037489

IUPACN-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc(N(C)C)no1
InChIInChI=1S/C8H14N4O2/c1-6(13)9-5-4-7-10-8(11-14-7)12(2)3/h4-5H2,1-3H3,(H,9,13)
InChIKeyHQRDJZVROPUVAP-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.19
Rot. Bonds4

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

N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 157037489) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID157037489
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc(N(C)C)no1
InChIInChI=1S/C8H14N4O2/c1-6(13)9-5-4-7-10-8(11-14-7)12(2)3/h4-5H2,1-3H3,(H,9,13)
InChIKeyHQRDJZVROPUVAP-UHFFFAOYSA-N
XLogP-0.19
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 157037489) is N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is CC(=O)NCCc1nc(N(C)C)no1.
What is the InChIKey of N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is HQRDJZVROPUVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6(13)9-5-4-7-10-8(11-14-7)12(2)3/h4-5H2,1-3H3,(H,9,13).
What are the key properties of N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 198.23 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 157037489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).