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

C27H18ClNO3 — CID 3098302

IUPAC4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=Cc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C27H18ClNO3/c28-23-13-7-5-11-20(23)17-31-25-15-14-18-8-4-6-12-21(18)22(25)16-24-27(30)32-26(29-24)19-9-2-1-3-10-19/h1-16H,17H2
InChIKeyAOUDVVZZVHQORK-UHFFFAOYSA-N
MW439.90 g/mol
LogP6.42
Rot. Bonds5

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

4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 3098302) has the molecular formula C27H18ClNO3 and a molecular weight of 439.90 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID3098302
Molecular FormulaC27H18ClNO3
Molecular Weight439.90 g/mol
Exact Mass439.10
IUPAC Name4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=Cc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C27H18ClNO3/c28-23-13-7-5-11-20(23)17-31-25-15-14-18-8-4-6-12-21(18)22(25)16-24-27(30)32-26(29-24)19-9-2-1-3-10-19/h1-16H,17H2
InChIKeyAOUDVVZZVHQORK-UHFFFAOYSA-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

4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3098301
(4Z)-2-(4-methylphenyl)-4-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
CID 6063070
(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663737
(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665485
2-(2-chlorophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
CID 4527983
(4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one
CID 6278747
(4E)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 56698406
4-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 3122329
(4E)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-ethoxyphenyl)-1,3-oxazol-5-one
CID 2491085
4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one
CID 2838749
(4Z)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19672774
2-(4-tert-butylphenyl)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 3921731

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 3098302) is 4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1=Cc1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is AOUDVVZZVHQORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClNO3/c28-23-13-7-5-11-20(23)17-31-25-15-14-18-8-4-6-12-21(18)22(25)16-24-27(30)32-26(29-24)19-9-2-1-3-10-19/h1-16H,17H2.
What are the key properties of 4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-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 4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 3098302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).