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

C14H8BrNO3 — CID 691746

IUPAC(4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccco1
InChIInChI=1S/C14H8BrNO3/c15-10-5-3-9(4-6-10)13-16-12(14(17)19-13)8-11-2-1-7-18-11/h1-8H/b12-8-
InChIKeyCEUKGIXHGCKZOW-WQLSENKSSA-N
MW318.13 g/mol
LogP3.39
Rot. Bonds2

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

(4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 691746) has the molecular formula C14H8BrNO3 and a molecular weight of 318.13 g/mol. Its IUPAC name is (4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID691746
Molecular FormulaC14H8BrNO3
Molecular Weight318.13 g/mol
Exact Mass316.97
IUPAC Name(4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccco1
InChIInChI=1S/C14H8BrNO3/c15-10-5-3-9(4-6-10)13-16-12(14(17)19-13)8-11-2-1-7-18-11/h1-8H/b12-8-
InChIKeyCEUKGIXHGCKZOW-WQLSENKSSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.39
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-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (CID 691746) is (4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is CEUKGIXHGCKZOW-WQLSENKSSA-N. The full InChI is InChI=1S/C14H8BrNO3/c15-10-5-3-9(4-6-10)13-16-12(14(17)19-13)8-11-2-1-7-18-11/h1-8H/b12-8-.
What are the key properties of (4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 318.13 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 691746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).