(4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one

C19H10F3NO4 — CID 1227448

IUPAC(4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H10F3NO4/c20-19(21,22)12-4-1-3-11(9-12)15-7-6-13(26-15)10-14-18(24)27-17(23-14)16-5-2-8-25-16/h1-10H/b14-10-
InChIKeyZNSQBTBEQOALTN-UVTDQMKNSA-N
MW373.29 g/mol
LogP4.90
Rot. Bonds3

About (4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one

(4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one (PubChem CID 1227448) has the molecular formula C19H10F3NO4 and a molecular weight of 373.29 g/mol. Its IUPAC name is (4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one
PubChem CID1227448
Molecular FormulaC19H10F3NO4
Molecular Weight373.29 g/mol
Exact Mass373.06
IUPAC Name(4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H10F3NO4/c20-19(21,22)12-4-1-3-11(9-12)15-7-6-13(26-15)10-14-18(24)27-17(23-14)16-5-2-8-25-16/h1-10H/b14-10-
InChIKeyZNSQBTBEQOALTN-UVTDQMKNSA-N
XLogP4.90
TPSA64.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.90
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)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one (CID 1227448) is (4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of (4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one?
The InChIKey is ZNSQBTBEQOALTN-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H10F3NO4/c20-19(21,22)12-4-1-3-11(9-12)15-7-6-13(26-15)10-14-18(24)27-17(23-14)16-5-2-8-25-16/h1-10H/b14-10-.
What are the key properties of (4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one has a molecular weight of 373.29 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(furan-2-yl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 1227448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).