4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one

C21H14ClNO4 — CID 1296712

IUPAC4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1cccc(C2=NC(=Cc3ccc(-c4ccccc4Cl)o3)C(=O)O2)c1
InChIInChI=1S/C21H14ClNO4/c1-25-14-6-4-5-13(11-14)20-23-18(21(24)27-20)12-15-9-10-19(26-15)16-7-2-3-8-17(16)22/h2-12H,1H3
InChIKeyNRCGMMRTCRSJPU-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.95
Rot. Bonds4

About 4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one

4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one (PubChem CID 1296712) has the molecular formula C21H14ClNO4 and a molecular weight of 379.80 g/mol. Its IUPAC name is 4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
PubChem CID1296712
Molecular FormulaC21H14ClNO4
Molecular Weight379.80 g/mol
Exact Mass379.06
IUPAC Name4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1cccc(C2=NC(=Cc3ccc(-c4ccccc4Cl)o3)C(=O)O2)c1
InChIInChI=1S/C21H14ClNO4/c1-25-14-6-4-5-13(11-14)20-23-18(21(24)27-20)12-15-9-10-19(26-15)16-7-2-3-8-17(16)22/h2-12H,1H3
InChIKeyNRCGMMRTCRSJPU-UHFFFAOYSA-N
XLogP4.95
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.95
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

(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one
CID 21229558
(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 916385
(4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one
CID 5407065
(4Z)-2-(2-chlorophenyl)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19664302
(4E)-2-(2-chlorophenyl)-4-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 6525805
4-[(3-chlorophenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 3966448
(4E)-4-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5369590
(4Z)-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6526771
4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
CID 3570760
(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(3,5-dimethoxyphenyl)-1,3-oxazol-5-one
CID 18532725
(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663628
(4Z)-4-[(2-iodophenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 55346702

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one?
The IUPAC name of 4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one (CID 1296712) is 4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one?
The canonical SMILES for 4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one is COc1cccc(C2=NC(=Cc3ccc(-c4ccccc4Cl)o3)C(=O)O2)c1.
What is the InChIKey of 4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one?
The InChIKey is NRCGMMRTCRSJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO4/c1-25-14-6-4-5-13(11-14)20-23-18(21(24)27-20)12-15-9-10-19(26-15)16-7-2-3-8-17(16)22/h2-12H,1H3.
What are the key properties of 4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one?
4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one has a molecular weight of 379.80 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 1296712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).