5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one

C11H11NO4 — CID 22728491

IUPAC5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one
SMILESCOc1ccc(-n2cc(OC)oc2=O)cc1
InChIInChI=1S/C11H11NO4/c1-14-9-5-3-8(4-6-9)12-7-10(15-2)16-11(12)13/h3-7H,1-2H3
InChIKeyLKDFHCOERYGMNV-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.45
Rot. Bonds3

About 5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one

5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one (PubChem CID 22728491) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one
PubChem CID22728491
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one
SMILESCOc1ccc(-n2cc(OC)oc2=O)cc1
InChIInChI=1S/C11H11NO4/c1-14-9-5-3-8(4-6-9)12-7-10(15-2)16-11(12)13/h3-7H,1-2H3
InChIKeyLKDFHCOERYGMNV-UHFFFAOYSA-N
XLogP1.45
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
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4-amino-5-fluoro-1-(4-methoxyphenyl)pyrimidin-2-one
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4-amino-1-(4-methoxyphenyl)pyridin-2-one
CID 10130616
1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one
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6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
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3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1-one
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1-(4-methoxyphenyl)-2-phenylindeno[1,2-c]pyrrol-4-one
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1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
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6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
CID 134133463

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one?
The IUPAC name of 5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one (CID 22728491) is 5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one.
What is the SMILES notation for 5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one?
The canonical SMILES for 5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one is COc1ccc(-n2cc(OC)oc2=O)cc1.
What is the InChIKey of 5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one?
The InChIKey is LKDFHCOERYGMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-14-9-5-3-8(4-6-9)12-7-10(15-2)16-11(12)13/h3-7H,1-2H3.
What are the key properties of 5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one?
5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one has a molecular weight of 221.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one is sourced from PubChem (CID 22728491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).