(4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one

C24H19NO4 — CID 19674957

IUPAC(4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
SMILESC=CCOc1c(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cccc1OC
InChIInChI=1S/C24H19NO4/c1-3-13-28-22-18(9-6-10-21(22)27-2)15-20-24(26)29-23(25-20)19-12-11-16-7-4-5-8-17(16)14-19/h3-12,14-15H,1,13H2,2H3/b20-15-
InChIKeyGAYCBPQFWSGSBL-HKWRFOASSA-N
MW385.42 g/mol
LogP4.76
Rot. Bonds6

About (4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one

(4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one (PubChem CID 19674957) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
PubChem CID19674957
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name(4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
SMILESC=CCOc1c(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cccc1OC
InChIInChI=1S/C24H19NO4/c1-3-13-28-22-18(9-6-10-21(22)27-2)15-20-24(26)29-23(25-20)19-12-11-16-7-4-5-8-17(16)14-19/h3-12,14-15H,1,13H2,2H3/b20-15-
InChIKeyGAYCBPQFWSGSBL-HKWRFOASSA-N
XLogP4.76
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-(4-fluorophenyl)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19669970
(4Z)-2-(3-fluorophenyl)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19666154
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313262
(4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 19674958
(4Z)-2-naphthalen-2-yl-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 19674503
2-(3,4-dimethoxyphenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 1108514
(4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199434
(4Z)-2-naphthalen-2-yl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199460
(4Z)-4-[(2-ethoxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6488534
(4E)-2-(3-methoxyphenyl)-4-[(3-methoxy-2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6488544
(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)-1,3-oxazol-5-one
CID 97353715
4-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 3115203

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one (CID 19674957) is (4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one is C=CCOc1c(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cccc1OC.
What is the InChIKey of (4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?
The InChIKey is GAYCBPQFWSGSBL-HKWRFOASSA-N. The full InChI is InChI=1S/C24H19NO4/c1-3-13-28-22-18(9-6-10-21(22)27-2)15-20-24(26)29-23(25-20)19-12-11-16-7-4-5-8-17(16)14-19/h3-12,14-15H,1,13H2,2H3/b20-15-.
What are the key properties of (4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?
(4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one has a molecular weight of 385.42 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 19674957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).