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

C24H21NO3 — CID 18527818

IUPAC(4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
SMILESCCCCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1
InChIInChI=1S/C24H21NO3/c1-2-3-15-27-19-13-11-17(12-14-19)16-22-24(26)28-23(25-22)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16H,2-3,15H2,1H3/b22-16-
InChIKeySEFNWHLHZUKIJU-JWGURIENSA-N
MW371.44 g/mol
LogP5.36
Rot. Bonds6

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

(4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one (PubChem CID 18527818) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
PubChem CID18527818
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
SMILESCCCCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1
InChIInChI=1S/C24H21NO3/c1-2-3-15-27-19-13-11-17(12-14-19)16-22-24(26)28-23(25-22)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16H,2-3,15H2,1H3/b22-16-
InChIKeySEFNWHLHZUKIJU-JWGURIENSA-N
XLogP5.36
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3964157
(4Z)-2-(2-methylphenyl)-4-[(4-octoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6519397
2-(2-fluorophenyl)-4-[(4-pentoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3521639
4-[(4-heptoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 171146627
(4Z)-2-(2-fluorophenyl)-4-[(4-pentoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6514653
2-(2-fluorophenyl)-4-[(4-octoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3276360
4-[(4-butoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3093027
(4Z)-4-[(4-butoxy-3-ethoxy-5-iodophenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 11838030
(4Z)-2-(2-bromophenyl)-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199428
4-benzylidene-2-(4-butoxyphenyl)-1,3-oxazol-5-one
CID 3102655
2-(4-butoxyphenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 4016704
2-naphthalen-1-yl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 3106315

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one (CID 18527818) is (4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one is CCCCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1.
What is the InChIKey of (4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one?
The InChIKey is SEFNWHLHZUKIJU-JWGURIENSA-N. The full InChI is InChI=1S/C24H21NO3/c1-2-3-15-27-19-13-11-17(12-14-19)16-22-24(26)28-23(25-22)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16H,2-3,15H2,1H3/b22-16-.
What are the key properties of (4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one?
(4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one has a molecular weight of 371.44 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one is sourced from PubChem (CID 18527818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).