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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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).