N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide

C6H7N3O2 — CID 106395489

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCc1ncon1
InChIInChI=1S/C6H7N3O2/c1-2-6(10)7-3-5-8-4-11-9-5/h2,4H,1,3H2,(H,7,10)
InChIKeyBYGLTABSFZWUNR-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.13
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide

N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide (PubChem CID 106395489) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide
PubChem CID106395489
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCc1ncon1
InChIInChI=1S/C6H7N3O2/c1-2-6(10)7-3-5-8-4-11-9-5/h2,4H,1,3H2,(H,7,10)
InChIKeyBYGLTABSFZWUNR-UHFFFAOYSA-N
XLogP-0.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.13
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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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 23395429
1-(1,2,4-Oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
CID 63811371
N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 103670378
(E)-4-(1,2,4-oxadiazol-3-ylmethylamino)-4-oxobut-2-enoic acid
CID 106394637
(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
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396958
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(prop-2-enylamino)acetamide
CID 106397150
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 106397928
1-[2-(1,2,4-Oxadiazol-3-ylmethylamino)ethyl]pyridin-2-one
CID 106398562
(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine
CID 106398585
2-(1,2,4-oxadiazol-3-ylmethylamino)-N-prop-2-enylpropanamide
CID 106398811

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide (CID 106395489) is N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide is C=CC(=O)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide?
The InChIKey is BYGLTABSFZWUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-2-6(10)7-3-5-8-4-11-9-5/h2,4H,1,3H2,(H,7,10).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide?
N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide has a molecular weight of 153.14 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 106395489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).