N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide

C12H11N3O2 — CID 73010503

IUPACN-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide
SMILESCC=CC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3O2/c1-2-6-10(16)13-12-15-14-11(17-12)9-7-4-3-5-8-9/h2-8H,1H3,(H,13,15,16)
InChIKeyIMSBCBJQMGUHQJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.25
Rot. Bonds3

About N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide

N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide (PubChem CID 73010503) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide
PubChem CID73010503
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide
SMILESCC=CC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3O2/c1-2-6-10(16)13-12-15-14-11(17-12)9-7-4-3-5-8-9/h2-8H,1H3,(H,13,15,16)
InChIKeyIMSBCBJQMGUHQJ-UHFFFAOYSA-N
XLogP2.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.25
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

(E)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 7578317
2-bromo-2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 114327579
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 78756281
3-(3-nitrophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 4569571
4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid
CID 91622666
2,6-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 3518645
3-phenyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74753355
(E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 7295048
2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 7565083
3-(2-chlorophenyl)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74908853
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-methylpropanoate
CID 7782402
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 4282009

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide?
The IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide (CID 73010503) is N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide?
The canonical SMILES for N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide is CC=CC(=O)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide?
The InChIKey is IMSBCBJQMGUHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-2-6-10(16)13-12-15-14-11(17-12)9-7-4-3-5-8-9/h2-8H,1H3,(H,13,15,16).
What are the key properties of N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide?
N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide has a molecular weight of 229.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide is sourced from PubChem (CID 73010503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).