(E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide

C22H20N2O3 — CID 178186548

IUPAC(E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide
SMILESCC1Cc2cc(-c3cc(CNC(=O)/C=C/c4ccccc4)no3)ccc2O1
InChIInChI=1S/C22H20N2O3/c1-15-11-18-12-17(8-9-20(18)26-15)21-13-19(24-27-21)14-23-22(25)10-7-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3,(H,23,25)/b10-7+
InChIKeyYGCRYXLTHFRANQ-JXMROGBWSA-N
MW360.41 g/mol
LogP3.99
Rot. Bonds5

About (E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide

(E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 178186548) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide
PubChem CID178186548
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide
SMILESCC1Cc2cc(-c3cc(CNC(=O)/C=C/c4ccccc4)no3)ccc2O1
InChIInChI=1S/C22H20N2O3/c1-15-11-18-12-17(8-9-20(18)26-15)21-13-19(24-27-21)14-23-22(25)10-7-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3,(H,23,25)/b10-7+
InChIKeyYGCRYXLTHFRANQ-JXMROGBWSA-N
XLogP3.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide
CID 93486204
N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 51863054
2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 93477821
2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile
CID 51862538
(Z)-3-(1,3-benzoxazol-2-yl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-enamide
CID 97462691
[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 45497881
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8568914
N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide
CID 51696429
(E)-N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 46090240
2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 51696436
[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate
CID 45497882
N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 93487189

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide (CID 178186548) is (E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide is CC1Cc2cc(-c3cc(CNC(=O)/C=C/c4ccccc4)no3)ccc2O1.
What is the InChIKey of (E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide?
The InChIKey is YGCRYXLTHFRANQ-JXMROGBWSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-15-11-18-12-17(8-9-20(18)26-15)21-13-19(24-27-21)14-23-22(25)10-7-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3,(H,23,25)/b10-7+.
What are the key properties of (E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 360.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 178186548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).