N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide

C9H14N4O2 — CID 106397928

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCc1ncon1
InChIInChI=1S/C9H14N4O2/c1-2-4-10-6-9(14)11-5-3-8-12-7-15-13-8/h2,7,10H,1,3-6H2,(H,11,14)
InChIKeyJJYYBXBDXMHDMK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.50
Rot. Bonds7

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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 106397928) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide
PubChem CID106397928
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCc1ncon1
InChIInChI=1S/C9H14N4O2/c1-2-4-10-6-9(14)11-5-3-8-12-7-15-13-8/h2,7,10H,1,3-6H2,(H,11,14)
InChIKeyJJYYBXBDXMHDMK-UHFFFAOYSA-N
XLogP-0.50
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113238505
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114184050
N~2~-[(dimethylamino)carbonyl]-N~1~-methyl-N~1~-[2-(1,2,4-oxadiazol-3-yl)ethyl]glycinamide
CID 77093724
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106391674
N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide
CID 106395489
(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide
CID 106395515
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide
CID 106395560
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide
CID 106396779
3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106396830
2-(cyclopropylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396856
2-amino-N-[2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoethyl]acetamide
CID 106396861
2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396908

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide (CID 106397928) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCCc1ncon1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is JJYYBXBDXMHDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-4-10-6-9(14)11-5-3-8-12-7-15-13-8/h2,7,10H,1,3-6H2,(H,11,14).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 210.24 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 106397928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).