3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one

C19H19N3O5 — CID 126774120

IUPAC3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
SMILESCOCc1nc(C2COCCN2C(=O)C=Cc2cc3ccccc3o2)no1
InChIInChI=1S/C19H19N3O5/c1-24-12-17-20-19(21-27-17)15-11-25-9-8-22(15)18(23)7-6-14-10-13-4-2-3-5-16(13)26-14/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyDTVYTYQWGZVYIL-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.58
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one

3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one (PubChem CID 126774120) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
PubChem CID126774120
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
SMILESCOCc1nc(C2COCCN2C(=O)C=Cc2cc3ccccc3o2)no1
InChIInChI=1S/C19H19N3O5/c1-24-12-17-20-19(21-27-17)15-11-25-9-8-22(15)18(23)7-6-14-10-13-4-2-3-5-16(13)26-14/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyDTVYTYQWGZVYIL-UHFFFAOYSA-N
XLogP2.58
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 75474958
(1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 97345254
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
CID 136538138
3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 126773272
(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
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
CID 127926168
(3,3-difluorocyclohexyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 136540499
(1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 138026961
(E)-3-(1-benzofuran-2-yl)-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]prop-2-en-1-one
CID 166224511
1-(4-amino-2-methylpiperidin-1-yl)-3-(1-benzofuran-2-yl)prop-2-en-1-one
CID 126786591
(E)-3-(2,6-difluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 75475246

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 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) is 3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one is COCc1nc(C2COCCN2C(=O)C=Cc2cc3ccccc3o2)no1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
The InChIKey is DTVYTYQWGZVYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-24-12-17-20-19(21-27-17)15-11-25-9-8-22(15)18(23)7-6-14-10-13-4-2-3-5-16(13)26-14/h2-7,10,15H,8-9,11-12H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one has a molecular weight of 369.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 126774120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).