2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one

C19H16ClNO3 — CID 2875062

IUPAC2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCCOc1ccccc1C=C1N=C(c2ccccc2Cl)OC1=O
InChIInChI=1S/C19H16ClNO3/c1-2-11-23-17-10-6-3-7-13(17)12-16-19(22)24-18(21-16)14-8-4-5-9-15(14)20/h3-10,12H,2,11H2,1H3
InChIKeyPHXBPDZXCOZPQB-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.47
Rot. Bonds5

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

2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 2875062) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID2875062
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCCOc1ccccc1C=C1N=C(c2ccccc2Cl)OC1=O
InChIInChI=1S/C19H16ClNO3/c1-2-11-23-17-10-6-3-7-13(17)12-16-19(22)24-18(21-16)14-8-4-5-9-15(14)20/h3-10,12H,2,11H2,1H3
InChIKeyPHXBPDZXCOZPQB-UHFFFAOYSA-N
XLogP4.47
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.47
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

(4Z)-2-(2-chlorophenyl)-4-[(3,5-dibromo-2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 21216721
(4Z)-2-(2-chlorophenyl)-4-[(2-ethoxy-3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19664388
(4Z)-2-(4-phenylphenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19665303
(4Z)-2-(2-bromophenyl)-4-[(2-butoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19669487
4-[(2-butoxyphenyl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5-one
CID 2875249
4-[(2-butoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 4203564
(4Z)-4-[(2-heptoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5285236
(4Z)-2-(2,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6520823
(4E)-4-[(2-butoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2199088
2-(3-chlorophenyl)-4-[(2-heptoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4309969
(4Z)-4-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 21216669
[2-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126200286

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 2875062) is 2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one is CCCOc1ccccc1C=C1N=C(c2ccccc2Cl)OC1=O.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is PHXBPDZXCOZPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-2-11-23-17-10-6-3-7-13(17)12-16-19(22)24-18(21-16)14-8-4-5-9-15(14)20/h3-10,12H,2,11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 341.79 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 2875062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).