2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one

C15H10BrNO4 — CID 4298014

IUPAC2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCOc1ccc(C2=NC(=Cc3ccco3)C(=O)O2)c(Br)c1
InChIInChI=1S/C15H10BrNO4/c1-19-9-4-5-11(12(16)7-9)14-17-13(15(18)21-14)8-10-3-2-6-20-10/h2-8H,1H3
InChIKeyROVABZATGJBBHV-UHFFFAOYSA-N
MW348.15 g/mol
LogP3.40
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one

2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 4298014) has the molecular formula C15H10BrNO4 and a molecular weight of 348.15 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID4298014
Molecular FormulaC15H10BrNO4
Molecular Weight348.15 g/mol
Exact Mass346.98
IUPAC Name2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCOc1ccc(C2=NC(=Cc3ccco3)C(=O)O2)c(Br)c1
InChIInChI=1S/C15H10BrNO4/c1-19-9-4-5-11(12(16)7-9)14-17-13(15(18)21-14)8-10-3-2-6-20-10/h2-8H,1H3
InChIKeyROVABZATGJBBHV-UHFFFAOYSA-N
XLogP3.40
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 53.40
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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Related Compounds

(4Z)-2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6061769
(4E)-2-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520824
(4Z)-2-(2-bromo-4-methoxyphenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 6078479
(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 108935787
[3-[(Z)-[2-(2-bromo-4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 6525739
(4Z)-2-(2-bromo-4-methoxyphenyl)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6030089
(4Z)-2-(2-chloro-4-nitrophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520150
4-[(3-bromophenyl)methylidene]-2-(2-chloro-4-methoxyphenyl)-1,3-oxazol-5-one
CID 3585246
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 17479270
(4E)-2-(2-chloro-5-iodophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 1126451
4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 4078415
(4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one
CID 108935786

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of 2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (CID 4298014) is 2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is COc1ccc(C2=NC(=Cc3ccco3)C(=O)O2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is ROVABZATGJBBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO4/c1-19-9-4-5-11(12(16)7-9)14-17-13(15(18)21-14)8-10-3-2-6-20-10/h2-8H,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 348.15 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 4298014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).