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

C21H14ClNO4 — CID 21229558

IUPAC(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one
SMILESCOc1cccc(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)O2)c1
InChIInChI=1S/C21H14ClNO4/c1-25-14-6-4-5-13(11-14)21-23-20(24)19(27-21)12-15-9-10-18(26-15)16-7-2-3-8-17(16)22/h2-12H,1H3/b19-12-
InChIKeyNQUXRYJXQKAQMK-UNOMPAQXSA-N
MW379.80 g/mol
LogP4.95
Rot. Bonds4

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

(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one (PubChem CID 21229558) has the molecular formula C21H14ClNO4 and a molecular weight of 379.80 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one
PubChem CID21229558
Molecular FormulaC21H14ClNO4
Molecular Weight379.80 g/mol
Exact Mass379.06
IUPAC Name(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one
SMILESCOc1cccc(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)O2)c1
InChIInChI=1S/C21H14ClNO4/c1-25-14-6-4-5-13(11-14)21-23-20(24)19(27-21)12-15-9-10-18(26-15)16-7-2-3-8-17(16)22/h2-12H,1H3/b19-12-
InChIKeyNQUXRYJXQKAQMK-UNOMPAQXSA-N
XLogP4.95
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 1296712
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
(4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one
CID 5407065
(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 916385
4-[(3-chlorophenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 3966448
(2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one
CID 18823708
(4Z)-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6526771
(2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 7972458
(4E)-2-(2-chlorophenyl)-4-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 6525805
(4Z)-2-(2-chlorophenyl)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19664302
(4E)-4-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5369590
4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
CID 3570760

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one?
The IUPAC name of (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one (CID 21229558) is (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one.
What is the SMILES notation for (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one?
The canonical SMILES for (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one is COc1cccc(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)O2)c1.
What is the InChIKey of (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one?
The InChIKey is NQUXRYJXQKAQMK-UNOMPAQXSA-N. The full InChI is InChI=1S/C21H14ClNO4/c1-25-14-6-4-5-13(11-14)21-23-20(24)19(27-21)12-15-9-10-18(26-15)16-7-2-3-8-17(16)22/h2-12H,1H3/b19-12-.
What are the key properties of (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one?
(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one has a molecular weight of 379.80 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-4-one is sourced from PubChem (CID 21229558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).