(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one

C19H23N3O4 — CID 75474922

IUPAC(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)N2CCOCC2c2noc(C(C)C)n2)c1
InChIInChI=1S/C19H23N3O4/c1-13(2)19-20-18(21-26-19)16-12-25-10-9-22(16)17(23)8-7-14-5-4-6-15(11-14)24-3/h4-8,11,13,16H,9-10,12H2,1-3H3/b8-7+
InChIKeyBEDKTOSGBGBGGQ-BQYQJAHWSA-N
MW357.41 g/mol
LogP2.81
Rot. Bonds5

About (E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one

(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one (PubChem CID 75474922) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
PubChem CID75474922
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)N2CCOCC2c2noc(C(C)C)n2)c1
InChIInChI=1S/C19H23N3O4/c1-13(2)19-20-18(21-26-19)16-12-25-10-9-22(16)17(23)8-7-14-5-4-6-15(11-14)24-3/h4-8,11,13,16H,9-10,12H2,1-3H3/b8-7+
InChIKeyBEDKTOSGBGBGGQ-BQYQJAHWSA-N
XLogP2.81
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126767891
3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75474925
2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97345225
N-(3-ethylphenyl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxamide
CID 75473994
N,N-diethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxamide
CID 75484023
(E)-3-(3-chlorophenyl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 75470569
3-(3-chlorophenyl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 126769896
(E)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 56728275
(2-hydroxy-5-methoxyphenyl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474993
3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126774120
3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126779690
methyl 4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylate
CID 115670093

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one (CID 75474922) is (E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one is COc1cccc(/C=C/C(=O)N2CCOCC2c2noc(C(C)C)n2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
The InChIKey is BEDKTOSGBGBGGQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(2)19-20-18(21-26-19)16-12-25-10-9-22(16)17(23)8-7-14-5-4-6-15(11-14)24-3/h4-8,11,13,16H,9-10,12H2,1-3H3/b8-7+.
What are the key properties of (E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one has a molecular weight of 357.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 75474922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).