(4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

C15H8F2N2O2 — CID 2406980

IUPAC(4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)c(F)c2)=N/C1=C\c1cccnc1
InChIInChI=1S/C15H8F2N2O2/c16-11-4-3-10(7-12(11)17)14-19-13(15(20)21-14)6-9-2-1-5-18-8-9/h1-8H/b13-6-
InChIKeyRGZJPXGRSNFTML-MLPAPPSSSA-N
MW286.24 g/mol
LogP2.70
Rot. Bonds2

About (4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

(4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 2406980) has the molecular formula C15H8F2N2O2 and a molecular weight of 286.24 g/mol. Its IUPAC name is (4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
PubChem CID2406980
Molecular FormulaC15H8F2N2O2
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name(4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)c(F)c2)=N/C1=C\c1cccnc1
InChIInChI=1S/C15H8F2N2O2/c16-11-4-3-10(7-12(11)17)14-19-13(15(20)21-14)6-9-2-1-5-18-8-9/h1-8H/b13-6-
InChIKeyRGZJPXGRSNFTML-MLPAPPSSSA-N
XLogP2.70
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one (CID 2406980) is (4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is O=C1OC(c2ccc(F)c(F)c2)=N/C1=C\c1cccnc1.
What is the InChIKey of (4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is RGZJPXGRSNFTML-MLPAPPSSSA-N. The full InChI is InChI=1S/C15H8F2N2O2/c16-11-4-3-10(7-12(11)17)14-19-13(15(20)21-14)6-9-2-1-5-18-8-9/h1-8H/b13-6-.
What are the key properties of (4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 286.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 2406980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).