N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide

C22H23N3O2 — CID 134008813

IUPACN-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C22H23N3O2/c1-5-25(14-15(2)3)22(26)19-12-10-18(11-13-19)21-24-23-20(27-21)17-8-6-16(4)7-9-17/h6-13H,2,5,14H2,1,3-4H3
InChIKeyKDWBMRGPZNEXDH-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.75
Rot. Bonds6

About N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide

N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide (PubChem CID 134008813) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide
PubChem CID134008813
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C22H23N3O2/c1-5-25(14-15(2)3)22(26)19-12-10-18(11-13-19)21-24-23-20(27-21)17-8-6-16(4)7-9-17/h6-13H,2,5,14H2,1,3-4H3
InChIKeyKDWBMRGPZNEXDH-UHFFFAOYSA-N
XLogP4.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.75
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,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391105
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 60656525
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386
4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 102850823
4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 37012021
4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide
CID 88653564
N,N-diethyl-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]benzamide
CID 46397278
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[(3-methylfuran-2-yl)methyl]benzamide
CID 166309904
5-(4-methylphenyl)-N,N-dipropyl-1,3,4-oxadiazole-2-carboxamide
CID 110391117
N-ethyl-N-(2-methylprop-2-enyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761564
N-ethyl-3-methyl-6-(4-methylphenyl)-N-(2-methylprop-2-enyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52559714

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide (CID 134008813) is N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(CC)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is KDWBMRGPZNEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-5-25(14-15(2)3)22(26)19-12-10-18(11-13-19)21-24-23-20(27-21)17-8-6-16(4)7-9-17/h6-13H,2,5,14H2,1,3-4H3.
What are the key properties of N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide?
N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 134008813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).