(E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide

C22H22N2O4 — CID 78890153

IUPAC(E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(-c3cnco3)cc2)cc1OCC
InChIInChI=1S/C22H22N2O4/c1-3-26-19-11-5-16(13-20(19)27-4-2)6-12-22(25)24-18-9-7-17(8-10-18)21-14-23-15-28-21/h5-15H,3-4H2,1-2H3,(H,24,25)/b12-6+
InChIKeyQPWHZVQZYPQHKH-WUXMJOGZSA-N
MW378.43 g/mol
LogP4.79
Rot. Bonds8

About (E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide

(E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide (PubChem CID 78890153) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
PubChem CID78890153
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(-c3cnco3)cc2)cc1OCC
InChIInChI=1S/C22H22N2O4/c1-3-26-19-11-5-16(13-20(19)27-4-2)6-12-22(25)24-18-9-7-17(8-10-18)21-14-23-15-28-21/h5-15H,3-4H2,1-2H3,(H,24,25)/b12-6+
InChIKeyQPWHZVQZYPQHKH-WUXMJOGZSA-N
XLogP4.79
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
N-[4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-4-ylprop-2-enamide
CID 103598249
N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5046140
(E)-3-(3,4-diethoxyphenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1178498
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 78890114
N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 41265772
(E)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 70303296
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534909
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 67047065
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 60613245

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide (CID 78890153) is (E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3cnco3)cc2)cc1OCC.
What is the InChIKey of (E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The InChIKey is QPWHZVQZYPQHKH-WUXMJOGZSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-3-26-19-11-5-16(13-20(19)27-4-2)6-12-22(25)24-18-9-7-17(8-10-18)21-14-23-15-28-21/h5-15H,3-4H2,1-2H3,(H,24,25)/b12-6+.
What are the key properties of (E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?
(E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide has a molecular weight of 378.43 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 78890153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).