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

C23H19NO3 — CID 3964157

IUPAC2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCCOc1ccc(C=C2N=C(c3cccc4ccccc34)OC2=O)cc1
InChIInChI=1S/C23H19NO3/c1-2-14-26-18-12-10-16(11-13-18)15-21-23(25)27-22(24-21)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,2,14H2,1H3
InChIKeyDNIBEUPSHOSGGX-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.97
Rot. Bonds5

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

2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 3964157) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID3964157
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCCOc1ccc(C=C2N=C(c3cccc4ccccc34)OC2=O)cc1
InChIInChI=1S/C23H19NO3/c1-2-14-26-18-12-10-16(11-13-18)15-21-23(25)27-22(24-21)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,2,14H2,1H3
InChIKeyDNIBEUPSHOSGGX-UHFFFAOYSA-N
XLogP4.97
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.97
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)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 18527818
(4Z)-2-(2-bromophenyl)-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199428
2-naphthalen-1-yl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 3106315
2-(2-fluorophenyl)-4-[(4-pentoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3521639
(4Z)-2-(2-methylphenyl)-4-[(4-octoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6519397
(4Z)-2-(2-fluorophenyl)-4-[(4-pentoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6514653
4-[(4-heptoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 171146627
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
methyl 4-[(E)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]benzoate
CID 1098812
(4Z)-4-[(4-butoxy-3-ethoxy-5-iodophenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 11838030
(4E)-2-(2-bromophenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1357622

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 3964157) is 2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one is CCCOc1ccc(C=C2N=C(c3cccc4ccccc34)OC2=O)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is DNIBEUPSHOSGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-2-14-26-18-12-10-16(11-13-18)15-21-23(25)27-22(24-21)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,2,14H2,1H3.
What are the key properties of 2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one?
2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 357.41 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 3964157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).