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

C9H14N4O2 — CID 106396779

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCc1noc(C)n1
InChIInChI=1S/C9H14N4O2/c1-3-4-10-6-9(14)11-5-8-12-7(2)15-13-8/h3,10H,1,4-6H2,2H3,(H,11,14)
InChIKeyJJTJZNQVZQCYLK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.23
Rot. Bonds6

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide (PubChem CID 106396779) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide
PubChem CID106396779
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCc1noc(C)n1
InChIInChI=1S/C9H14N4O2/c1-3-4-10-6-9(14)11-5-8-12-7(2)15-13-8/h3,10H,1,4-6H2,2H3,(H,11,14)
InChIKeyJJTJZNQVZQCYLK-UHFFFAOYSA-N
XLogP-0.23
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.23
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide (CID 106396779) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCc1noc(C)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is JJTJZNQVZQCYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-4-10-6-9(14)11-5-8-12-7(2)15-13-8/h3,10H,1,4-6H2,2H3,(H,11,14).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 210.24 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 106396779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).