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

C23H19NO3 — CID 6006272

IUPAC(4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCC(C)Oc1ccccc1/C=C1/N=C(c2cccc3ccccc23)OC1=O
InChIInChI=1S/C23H19NO3/c1-15(2)26-21-13-6-4-9-17(21)14-20-23(25)27-22(24-20)19-12-7-10-16-8-3-5-11-18(16)19/h3-15H,1-2H3/b20-14+
InChIKeyMDDYZDOXFOZYNV-XSFVSMFZSA-N
MW357.41 g/mol
LogP4.97
Rot. Bonds4

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

(4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 6006272) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID6006272
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCC(C)Oc1ccccc1/C=C1/N=C(c2cccc3ccccc23)OC1=O
InChIInChI=1S/C23H19NO3/c1-15(2)26-21-13-6-4-9-17(21)14-20-23(25)27-22(24-20)19-12-7-10-16-8-3-5-11-18(16)19/h3-15H,1-2H3/b20-14+
InChIKeyMDDYZDOXFOZYNV-XSFVSMFZSA-N
XLogP4.97
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

(4E)-2-(2-bromophenyl)-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1004822
4-[(4-methoxy-3-propan-2-yloxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 4248810
(4Z)-2-(4-methylphenyl)-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19662111
2-naphthalen-1-yl-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 3106315
2-(2-bromophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 603898
2-(2-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 2844190
2-(2-fluorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3420366
[2-methoxy-5-[(E)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] 2-methylpropanoate
CID 1012013
2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3964157
methyl 4-[(E)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]benzoate
CID 1098812
(4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 18527818
(4Z)-2-(3-methyl-4-nitrophenyl)-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19667631

Frequently Asked Questions

What is the IUPAC name of (4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one (CID 6006272) is (4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one is CC(C)Oc1ccccc1/C=C1/N=C(c2cccc3ccccc23)OC1=O.
What is the InChIKey of (4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is MDDYZDOXFOZYNV-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H19NO3/c1-15(2)26-21-13-6-4-9-17(21)14-20-23(25)27-22(24-20)19-12-7-10-16-8-3-5-11-18(16)19/h3-15H,1-2H3/b20-14+.
What are the key properties of (4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 357.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6006272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).