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

C19H17N3O4 — CID 126773272

IUPAC3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)N1CCOCC1c1noc(-c2ccccc2)n1
InChIInChI=1S/C19H17N3O4/c23-17(9-8-15-7-4-11-25-15)22-10-12-24-13-16(22)18-20-19(26-21-18)14-5-2-1-3-6-14/h1-9,11,16H,10,12-13H2
InChIKeyBUEFOULQEHSEAU-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.94
Rot. Bonds4

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

3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one (PubChem CID 126773272) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
PubChem CID126773272
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)N1CCOCC1c1noc(-c2ccccc2)n1
InChIInChI=1S/C19H17N3O4/c23-17(9-8-15-7-4-11-25-15)22-10-12-24-13-16(22)18-20-19(26-21-18)14-5-2-1-3-6-14/h1-9,11,16H,10,12-13H2
InChIKeyBUEFOULQEHSEAU-UHFFFAOYSA-N
XLogP2.94
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one (CID 126773272) is 3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one is O=C(C=Cc1ccco1)N1CCOCC1c1noc(-c2ccccc2)n1.
What is the InChIKey of 3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
The InChIKey is BUEFOULQEHSEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-17(9-8-15-7-4-11-25-15)22-10-12-24-13-16(22)18-20-19(26-21-18)14-5-2-1-3-6-14/h1-9,11,16H,10,12-13H2.
What are the key properties of 3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one?
3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one has a molecular weight of 351.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 126773272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).