N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide

C16H15N5O2 — CID 71961523

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1cc(-c2nnc(NC(=O)C=Cc3ccccc3)o2)nn1C
InChIInChI=1S/C16H15N5O2/c1-11-10-13(20-21(11)2)15-18-19-16(23-15)17-14(22)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,19,22)
InChIKeyIHVXTZXELUKFSF-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.43
Rot. Bonds4

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

N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 71961523) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
PubChem CID71961523
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1cc(-c2nnc(NC(=O)C=Cc3ccccc3)o2)nn1C
InChIInChI=1S/C16H15N5O2/c1-11-10-13(20-21(11)2)15-18-19-16(23-15)17-14(22)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,19,22)
InChIKeyIHVXTZXELUKFSF-UHFFFAOYSA-N
XLogP2.43
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 78756281
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 71962543
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 4282009
(E)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 7578317
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 25283241
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 25283247
(E)-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 92686414
3-phenyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74753355
(E)-N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-phenylprop-2-enamide
CID 16917343
3-(3-nitrophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 4569571
(E)-3-(3-nitrophenyl)-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 6072933
3-(4-nitrophenyl)-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 5244031

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide (CID 71961523) is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide is Cc1cc(-c2nnc(NC(=O)C=Cc3ccccc3)o2)nn1C.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is IHVXTZXELUKFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-10-13(20-21(11)2)15-18-19-16(23-15)17-14(22)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,19,22).
What are the key properties of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 309.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 71961523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).