(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one

C19H16ClNO4 — CID 108937439

IUPAC(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one
SMILESCOc1ccc(Cl)cc1/C=C1/N=C(CCOc2ccccc2)OC1=O
InChIInChI=1S/C19H16ClNO4/c1-23-17-8-7-14(20)11-13(17)12-16-19(22)25-18(21-16)9-10-24-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3/b16-12+
InChIKeyNSGRSRCQEDIMNH-FOWTUZBSSA-N
MW357.79 g/mol
LogP4.11
Rot. Bonds6

About (4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one

(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one (PubChem CID 108937439) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is (4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one
PubChem CID108937439
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one
SMILESCOc1ccc(Cl)cc1/C=C1/N=C(CCOc2ccccc2)OC1=O
InChIInChI=1S/C19H16ClNO4/c1-23-17-8-7-14(20)11-13(17)12-16-19(22)25-18(21-16)9-10-24-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3/b16-12+
InChIKeyNSGRSRCQEDIMNH-FOWTUZBSSA-N
XLogP4.11
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.11
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

(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one
CID 108936590
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-one
CID 108937437
4-[[5-chloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4198765
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(phenoxymethyl)-1,3-oxazol-5-one
CID 108937264
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-one
CID 108936692
(4E)-2-[(4-chlorophenyl)methyl]-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937658
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108936944
(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[(4-pentoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 126009420
2-(5-chloro-2-methoxyphenyl)-4-[(2,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4262969
(4E)-2-benzyl-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937318
(4E)-4-[(4-chlorophenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1,3-oxazol-5-one
CID 108936396
(4E)-2-[2-(furan-2-yl)ethyl]-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936228

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one (CID 108937439) is (4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one is COc1ccc(Cl)cc1/C=C1/N=C(CCOc2ccccc2)OC1=O.
What is the InChIKey of (4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one?
The InChIKey is NSGRSRCQEDIMNH-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-23-17-8-7-14(20)11-13(17)12-16-19(22)25-18(21-16)9-10-24-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3/b16-12+.
What are the key properties of (4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one?
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one has a molecular weight of 357.79 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-(2-phenoxyethyl)-1,3-oxazol-5-one is sourced from PubChem (CID 108937439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).