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

C19H17N3O2 — CID 17171765

IUPAC2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C19H17N3O2/c1-12(2)17(23)20-15-10-8-14(9-11-15)18-21-22-19(24-18)16-7-5-4-6-13(16)3/h4-11H,1H2,2-3H3,(H,20,23)
InChIKeyQHEKDJVMRPHBKQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.23
Rot. Bonds4

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

2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide (PubChem CID 17171765) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
PubChem CID17171765
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C19H17N3O2/c1-12(2)17(23)20-15-10-8-14(9-11-15)18-21-22-19(24-18)16-7-5-4-6-13(16)3/h4-11H,1H2,2-3H3,(H,20,23)
InChIKeyQHEKDJVMRPHBKQ-UHFFFAOYSA-N
XLogP4.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.23
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

4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methylsulfanylphenyl)benzamide
CID 24608389
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
CID 56517932
N-(4-methylphenyl)-2-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]acetamide
CID 24616329
2-methyl-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2993930
N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41466869
N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenylacetamide
CID 2993583
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
N-cycloheptyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002230
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42934242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide (CID 17171765) is 2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide is C=C(C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1.
What is the InChIKey of 2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide?
The InChIKey is QHEKDJVMRPHBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12(2)17(23)20-15-10-8-14(9-11-15)18-21-22-19(24-18)16-7-5-4-6-13(16)3/h4-11H,1H2,2-3H3,(H,20,23).
What are the key properties of 2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide?
2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 17171765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).