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

C27H18ClNO3 — CID 19674679

IUPAC(4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C27H18ClNO3/c28-23-13-9-18(10-14-23)17-31-25-8-4-3-7-21(25)16-24-27(30)32-26(29-24)22-12-11-19-5-1-2-6-20(19)15-22/h1-16H,17H2/b24-16-
InChIKeySXCSBVNQXKRZBJ-JLPGSUDCSA-N
MW439.90 g/mol
LogP6.42
Rot. Bonds5

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

(4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one (PubChem CID 19674679) has the molecular formula C27H18ClNO3 and a molecular weight of 439.90 g/mol. Its IUPAC name is (4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
PubChem CID19674679
Molecular FormulaC27H18ClNO3
Molecular Weight439.90 g/mol
Exact Mass439.10
IUPAC Name(4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C27H18ClNO3/c28-23-13-9-18(10-14-23)17-31-25-8-4-3-7-21(25)16-24-27(30)32-26(29-24)22-12-11-19-5-1-2-6-20(19)15-22/h1-16H,17H2/b24-16-
InChIKeySXCSBVNQXKRZBJ-JLPGSUDCSA-N
XLogP6.42
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.90
LogP ≤ 56.42
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-[(2-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313262
(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 126010344
(4Z)-2-(2,4-dichlorophenyl)-4-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19670108
(4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2180782
(4Z)-2-(4-nitrophenyl)-4-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19665061
(4Z)-2-(3,4-dichlorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19672734
(4Z)-2-naphthalen-2-yl-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 19674503
(4Z)-4-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 19674644
(4Z)-4-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-iodo-3-methylphenyl)-1,3-oxazol-5-one
CID 19671724
(4Z)-4-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 19674958
4-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(3-iodo-4-methylphenyl)-1,3-oxazol-5-one
CID 5097996
(4Z)-4-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668583

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one (CID 19674679) is (4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one is O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of (4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?
The InChIKey is SXCSBVNQXKRZBJ-JLPGSUDCSA-N. The full InChI is InChI=1S/C27H18ClNO3/c28-23-13-9-18(10-14-23)17-31-25-8-4-3-7-21(25)16-24-27(30)32-26(29-24)22-12-11-19-5-1-2-6-20(19)15-22/h1-16H,17H2/b24-16-.
What are the key properties of (4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one?
(4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one has a molecular weight of 439.90 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 19674679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).