(E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide

C20H20N2O4 — CID 26702969

IUPAC(E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(OCC)c(NC(=O)/C=C/c2nc3ccccc3o2)c1
InChIInChI=1S/C20H20N2O4/c1-3-24-14-9-10-17(25-4-2)16(13-14)21-19(23)11-12-20-22-15-7-5-6-8-18(15)26-20/h5-13H,3-4H2,1-2H3,(H,21,23)/b12-11+
InChIKeyGQRMKQTYVBRLPW-VAWYXSNFSA-N
MW352.39 g/mol
LogP4.28
Rot. Bonds7

About (E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide

(E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide (PubChem CID 26702969) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
PubChem CID26702969
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(OCC)c(NC(=O)/C=C/c2nc3ccccc3o2)c1
InChIInChI=1S/C20H20N2O4/c1-3-24-14-9-10-17(25-4-2)16(13-14)21-19(23)11-12-20-22-15-7-5-6-8-18(15)26-20/h5-13H,3-4H2,1-2H3,(H,21,23)/b12-11+
InChIKeyGQRMKQTYVBRLPW-VAWYXSNFSA-N
XLogP4.28
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.28
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

(E)-3-(1,3-benzoxazol-2-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]prop-2-enamide
CID 110899671
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 17417153
(E)-3-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17413045
(E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 26663841
ethyl (Z)-3-(1,3-benzoxazol-2-yl)prop-2-enoate
CID 153326017
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
CID 60557288
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide
CID 78801989
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 75618226
N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 72687447
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 26700011
(E)-3-(1,3-benzoxazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide
CID 51189008
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 34728501

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide (CID 26702969) is (E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide is CCOc1ccc(OCC)c(NC(=O)/C=C/c2nc3ccccc3o2)c1.
What is the InChIKey of (E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide?
The InChIKey is GQRMKQTYVBRLPW-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-24-14-9-10-17(25-4-2)16(13-14)21-19(23)11-12-20-22-15-7-5-6-8-18(15)26-20/h5-13H,3-4H2,1-2H3,(H,21,23)/b12-11+.
What are the key properties of (E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide?
(E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide has a molecular weight of 352.39 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzoxazol-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26702969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).