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

C7H9N3O2 — CID 61014100

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1nc(C)no1
InChIInChI=1S/C7H9N3O2/c1-3-6(11)8-4-7-9-5(2)10-12-7/h3H,1,4H2,2H3,(H,8,11)
InChIKeySVVYQMXSXVINRT-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.18
Rot. Bonds3

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide (PubChem CID 61014100) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide
PubChem CID61014100
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1nc(C)no1
InChIInChI=1S/C7H9N3O2/c1-3-6(11)8-4-7-9-5(2)10-12-7/h3H,1,4H2,2H3,(H,8,11)
InChIKeySVVYQMXSXVINRT-UHFFFAOYSA-N
XLogP0.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.18
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide (CID 61014100) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide is C=CC(=O)NCc1nc(C)no1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is SVVYQMXSXVINRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-3-6(11)8-4-7-9-5(2)10-12-7/h3H,1,4H2,2H3,(H,8,11).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 167.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 61014100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).