N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide

C22H23N3O2 — CID 55599969

IUPACN-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccccc1)C(=O)CCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C22H23N3O2/c1-3-15-25(16-18-7-5-4-6-8-18)21(26)14-13-20-23-24-22(27-20)19-11-9-17(2)10-12-19/h3-12H,1,13-16H2,2H3
InChIKeyWMWLNQVMYJEWDJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.19
Rot. Bonds8

About N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide

N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide (PubChem CID 55599969) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
PubChem CID55599969
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccccc1)C(=O)CCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C22H23N3O2/c1-3-15-25(16-18-7-5-4-6-8-18)21(26)14-13-20-23-24-22(27-20)19-11-9-17(2)10-12-19/h3-12H,1,13-16H2,2H3
InChIKeyWMWLNQVMYJEWDJ-UHFFFAOYSA-N
XLogP4.19
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 45352017
methyl 4-[[methyl-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]benzoate
CID 37414906
N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334734
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18115741
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 26404535
N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334016
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide
CID 55413074
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-N-prop-2-enylpropanamide
CID 8836373
N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 86963374
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18104453

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide?
The IUPAC name of N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide (CID 55599969) is N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide is C=CCN(Cc1ccccc1)C(=O)CCc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide?
The InChIKey is WMWLNQVMYJEWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-15-25(16-18-7-5-4-6-8-18)21(26)14-13-20-23-24-22(27-20)19-11-9-17(2)10-12-19/h3-12H,1,13-16H2,2H3.
What are the key properties of N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide?
N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide has a molecular weight of 361.45 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 55599969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).