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

C8H11N3O2 — CID 106415332

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1noc(C)n1
InChIInChI=1S/C8H11N3O2/c1-3-8(12)9-5-4-7-10-6(2)13-11-7/h3H,1,4-5H2,2H3,(H,9,12)
InChIKeyYOLPTIDDZLBZRX-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.22
Rot. Bonds4

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide (PubChem CID 106415332) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide
PubChem CID106415332
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1noc(C)n1
InChIInChI=1S/C8H11N3O2/c1-3-8(12)9-5-4-7-10-6(2)13-11-7/h3H,1,4-5H2,2H3,(H,9,12)
InChIKeyYOLPTIDDZLBZRX-UHFFFAOYSA-N
XLogP0.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide (CID 106415332) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide is C=CC(=O)NCCc1noc(C)n1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide?
The InChIKey is YOLPTIDDZLBZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-8(12)9-5-4-7-10-6(2)13-11-7/h3H,1,4-5H2,2H3,(H,9,12).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide has a molecular weight of 181.19 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 106415332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).