(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one

C16H13NO5 — CID 108935787

IUPAC(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCOc1cccc(OC)c1C1=N/C(=C/c2ccco2)C(=O)O1
InChIInChI=1S/C16H13NO5/c1-19-12-6-3-7-13(20-2)14(12)15-17-11(16(18)22-15)9-10-5-4-8-21-10/h3-9H,1-2H3/b11-9+
InChIKeyPQZYLSPAJKZXPS-PKNBQFBNSA-N
MW299.28 g/mol
LogP2.64
Rot. Bonds4

About (4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one

(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 108935787) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is (4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID108935787
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCOc1cccc(OC)c1C1=N/C(=C/c2ccco2)C(=O)O1
InChIInChI=1S/C16H13NO5/c1-19-12-6-3-7-13(20-2)14(12)15-17-11(16(18)22-15)9-10-5-4-8-21-10/h3-9H,1-2H3/b11-9+
InChIKeyPQZYLSPAJKZXPS-PKNBQFBNSA-N
XLogP2.64
TPSA70.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-2-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520824
(4E)-2-(2,6-dimethoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108936088
2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 4298014
(4Z)-2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6061769
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 17479270
(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-one
CID 108936927
(4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one
CID 108935786
(4E)-2-(2,6-dimethoxyphenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937456
(4Z)-2-(4-chloro-2-pyridinyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 9052520
(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-one
CID 108936606
(4E)-2-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 108935792
2-(furan-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5124809

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (CID 108935787) is (4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is COc1cccc(OC)c1C1=N/C(=C/c2ccco2)C(=O)O1.
What is the InChIKey of (4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is PQZYLSPAJKZXPS-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H13NO5/c1-19-12-6-3-7-13(20-2)14(12)15-17-11(16(18)22-15)9-10-5-4-8-21-10/h3-9H,1-2H3/b11-9+.
What are the key properties of (4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 299.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 108935787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).