2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide

C19H16N2O4 — CID 92964181

IUPAC2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide
SMILESCc1ccc(C2=N/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)O2)cc1
InChIInChI=1S/C19H16N2O4/c1-12-2-6-14(7-3-12)18-21-16(19(23)25-18)10-13-4-8-15(9-5-13)24-11-17(20)22/h2-10H,11H2,1H3,(H2,20,22)/b16-10+
InChIKeyIKXKXZQKJJGNIF-MHWRWJLKSA-N
MW336.35 g/mol
LogP2.20
Rot. Bonds5

About 2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide

2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide (PubChem CID 92964181) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide
PubChem CID92964181
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide
SMILESCc1ccc(C2=N/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)O2)cc1
InChIInChI=1S/C19H16N2O4/c1-12-2-6-14(7-3-12)18-21-16(19(23)25-18)10-13-4-8-15(9-5-13)24-11-17(20)22/h2-10H,11H2,1H3,(H2,20,22)/b16-10+
InChIKeyIKXKXZQKJJGNIF-MHWRWJLKSA-N
XLogP2.20
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
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-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 740848
2-[4-[(5-oxo-2-thiophen-2-yl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetamide
CID 833948
[4-[[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] benzoate
CID 1041697
4-[(Z)-[2-(4-ethoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 9313498
ethyl 2-[4-[(E)-(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
CID 6380447
(4Z)-2-(4-iodophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19670889
(4E)-4-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 2266772
4-[(Z)-[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 9313562
(4E)-4-[(4-ethylphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 108936192
ethyl 2-[4-[(E)-(5-oxo-2-thiophen-2-yl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
CID 6488457
(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19662014
2-[2-methoxy-4-[(Z)-[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide
CID 9312894

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide (CID 92964181) is 2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide is Cc1ccc(C2=N/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)O2)cc1.
What is the InChIKey of 2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide?
The InChIKey is IKXKXZQKJJGNIF-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12-2-6-14(7-3-12)18-21-16(19(23)25-18)10-13-4-8-15(9-5-13)24-11-17(20)22/h2-10H,11H2,1H3,(H2,20,22)/b16-10+.
What are the key properties of 2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide?
2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide has a molecular weight of 336.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 92964181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).