(4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one

C19H11F2NO4 — CID 24586775

IUPAC(4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(OC(F)F)c2)=N/C1=C\c1cc2ccccc2o1
InChIInChI=1S/C19H11F2NO4/c20-19(21)25-13-6-3-5-12(9-13)17-22-15(18(23)26-17)10-14-8-11-4-1-2-7-16(11)24-14/h1-10,19H/b15-10-
InChIKeyJDJYKICZARYABS-GDNBJRDFSA-N
MW355.30 g/mol
LogP4.38
Rot. Bonds4

About (4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one

(4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one (PubChem CID 24586775) has the molecular formula C19H11F2NO4 and a molecular weight of 355.30 g/mol. Its IUPAC name is (4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one
PubChem CID24586775
Molecular FormulaC19H11F2NO4
Molecular Weight355.30 g/mol
Exact Mass355.07
IUPAC Name(4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(OC(F)F)c2)=N/C1=C\c1cc2ccccc2o1
InChIInChI=1S/C19H11F2NO4/c20-19(21)25-13-6-3-5-12(9-13)17-22-15(18(23)26-17)10-14-8-11-4-1-2-7-16(11)24-14/h1-10,19H/b15-10-
InChIKeyJDJYKICZARYABS-GDNBJRDFSA-N
XLogP4.38
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one (CID 24586775) is (4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one is O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C\c1cc2ccccc2o1.
What is the InChIKey of (4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one?
The InChIKey is JDJYKICZARYABS-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H11F2NO4/c20-19(21)25-13-6-3-5-12(9-13)17-22-15(18(23)26-17)10-14-8-11-4-1-2-7-16(11)24-14/h1-10,19H/b15-10-.
What are the key properties of (4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one?
(4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one has a molecular weight of 355.30 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1-benzofuran-2-ylmethylidene)-2-[3-(difluoromethoxy)phenyl]-1,3-oxazol-5-one is sourced from PubChem (CID 24586775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).