(4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one

C14H7Cl2NO3 — CID 747559

IUPAC(4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccco1
InChIInChI=1S/C14H7Cl2NO3/c15-8-3-4-10(11(16)6-8)13-17-12(14(18)20-13)7-9-2-1-5-19-9/h1-7H/b12-7-
InChIKeyNYRORONHQWHQNN-GHXNOFRVSA-N
MW308.12 g/mol
LogP3.93
Rot. Bonds2

About (4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one

(4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 747559) has the molecular formula C14H7Cl2NO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is (4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID747559
Molecular FormulaC14H7Cl2NO3
Molecular Weight308.12 g/mol
Exact Mass306.98
IUPAC Name(4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccco1
InChIInChI=1S/C14H7Cl2NO3/c15-8-3-4-10(11(16)6-8)13-17-12(14(18)20-13)7-9-2-1-5-19-9/h1-7H/b12-7-
InChIKeyNYRORONHQWHQNN-GHXNOFRVSA-N
XLogP3.93
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.93
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-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (CID 747559) is (4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is NYRORONHQWHQNN-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H7Cl2NO3/c15-8-3-4-10(11(16)6-8)13-17-12(14(18)20-13)7-9-2-1-5-19-9/h1-7H/b12-7-.
What are the key properties of (4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 308.12 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 747559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).