4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one

C19H16ClNO3 — CID 3280679

IUPAC4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)c1=Cc1ccc(OCc2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C19H16ClNO3/c1-12-3-5-14(6-4-12)11-23-18-8-7-15(10-17(18)20)9-16-13(2)21-24-19(16)22/h3-10,21H,2,11H2,1H3
InChIKeyDCWAYUVMXDYJCM-UHFFFAOYSA-N
MW341.79 g/mol
LogP2.75
Rot. Bonds4

About 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one

4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one (PubChem CID 3280679) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
PubChem CID3280679
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)c1=Cc1ccc(OCc2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C19H16ClNO3/c1-12-3-5-14(6-4-12)11-23-18-8-7-15(10-17(18)20)9-16-13(2)21-24-19(16)22/h3-10,21H,2,11H2,1H3
InChIKeyDCWAYUVMXDYJCM-UHFFFAOYSA-N
XLogP2.75
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z)-4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 2289318
4-[(3-bromo-4-ethoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 3631066
4-[(3-chloro-4-hydroxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 3631065
(4E)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 2189319
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
(E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 91684714
(5Z)-5-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 126066134
N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8902259
4-[[2-chloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoate
CID 6979977
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1020637

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The IUPAC name of 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one (CID 3280679) is 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one.
What is the SMILES notation for 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The canonical SMILES for 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one is C=c1[nH]oc(=O)c1=Cc1ccc(OCc2ccc(C)cc2)c(Cl)c1.
What is the InChIKey of 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The InChIKey is DCWAYUVMXDYJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-12-3-5-14(6-4-12)11-23-18-8-7-15(10-17(18)20)9-16-13(2)21-24-19(16)22/h3-10,21H,2,11H2,1H3.
What are the key properties of 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one has a molecular weight of 341.79 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one is sourced from PubChem (CID 3280679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).