4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one

C12H11NO4 — CID 4282741

IUPAC4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)c1=Cc1ccc(O)c(OC)c1
InChIInChI=1S/C12H11NO4/c1-7-9(12(15)17-13-7)5-8-3-4-10(14)11(6-8)16-2/h3-6,13-14H,1H2,2H3
InChIKeyNJUFETWMTWYNDY-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.08
Rot. Bonds2

About 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one

4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one (PubChem CID 4282741) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
PubChem CID4282741
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)c1=Cc1ccc(O)c(OC)c1
InChIInChI=1S/C12H11NO4/c1-7-9(12(15)17-13-7)5-8-3-4-10(14)11(6-8)16-2/h3-6,13-14H,1H2,2H3
InChIKeyNJUFETWMTWYNDY-UHFFFAOYSA-N
XLogP-0.08
TPSA75.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4Z)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 2189320
(4E)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 2189319
3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 3391519
CID 130345281
CID 130345281
3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 72983742
(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 741231
4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 3280679
(6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 969490
(2Z,7Z)-2,7-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cycloheptan-1-one
CID 177487942
2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 11366
10-[(4-hydroxy-3-methoxyphenyl)methylidene]anthracen-9-one
CID 12516081
4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 701594

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The IUPAC name of 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one (CID 4282741) is 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one.
What is the SMILES notation for 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The canonical SMILES for 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one is C=c1[nH]oc(=O)c1=Cc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The InChIKey is NJUFETWMTWYNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7-9(12(15)17-13-7)5-8-3-4-10(14)11(6-8)16-2/h3-6,13-14H,1H2,2H3.
What are the key properties of 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one?
4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one has a molecular weight of 233.22 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one is sourced from PubChem (CID 4282741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).