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

C22H23N3O2 — CID 19244691

IUPAC(E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCCc1ccc(CC)c(-c2nonc2NC(=O)/C=C/c2ccc(C)cc2)c1
InChIInChI=1S/C22H23N3O2/c1-4-16-10-12-18(5-2)19(14-16)21-22(25-27-24-21)23-20(26)13-11-17-8-6-15(3)7-9-17/h6-14H,4-5H2,1-3H3,(H,23,25,26)/b13-11+
InChIKeyVRTVBCQUJUSKOM-ACCUITESSA-N
MW361.45 g/mol
LogP4.82
Rot. Bonds6

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

(E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 19244691) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID19244691
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCCc1ccc(CC)c(-c2nonc2NC(=O)/C=C/c2ccc(C)cc2)c1
InChIInChI=1S/C22H23N3O2/c1-4-16-10-12-18(5-2)19(14-16)21-22(25-27-24-21)23-20(26)13-11-17-8-6-15(3)7-9-17/h6-14H,4-5H2,1-3H3,(H,23,25,26)/b13-11+
InChIKeyVRTVBCQUJUSKOM-ACCUITESSA-N
XLogP4.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-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

(E)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 19244514
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 7711257
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 4259251
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 86950496
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide
CID 7693268
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethylphenyl)prop-2-enamide
CID 18278830
(E)-3-(4-ethylphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619640
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
ethyl 4-ethyl-5-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]thiophene-3-carboxylate
CID 3338956
(E)-3-(4-aminophenyl)-N-(5-ethyl-2-hydroxyphenyl)prop-2-enamide
CID 115344623
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide (CID 19244691) is (E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide is CCc1ccc(CC)c(-c2nonc2NC(=O)/C=C/c2ccc(C)cc2)c1.
What is the InChIKey of (E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is VRTVBCQUJUSKOM-ACCUITESSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-16-10-12-18(5-2)19(14-16)21-22(25-27-24-21)23-20(26)13-11-17-8-6-15(3)7-9-17/h6-14H,4-5H2,1-3H3,(H,23,25,26)/b13-11+.
What are the key properties of (E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 19244691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).