[3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone

C26H19NO6 — CID 102455348

IUPAC[3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone
SMILESCOc1ccc(C(=O)c2noc(C(=O)c3ccc(OC)cc3)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H19NO6/c1-31-19-12-8-17(9-13-19)24(29)22-21(23(28)16-6-4-3-5-7-16)26(33-27-22)25(30)18-10-14-20(32-2)15-11-18/h3-15H,1-2H3
InChIKeyPFSQWIHYDVQESA-UHFFFAOYSA-N
MW441.44 g/mol
LogP4.38
Rot. Bonds8

About [3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone

[3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone (PubChem CID 102455348) has the molecular formula C26H19NO6 and a molecular weight of 441.44 g/mol. Its IUPAC name is [3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone
PubChem CID102455348
Molecular FormulaC26H19NO6
Molecular Weight441.44 g/mol
Exact Mass441.12
IUPAC Name[3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone
SMILESCOc1ccc(C(=O)c2noc(C(=O)c3ccc(OC)cc3)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H19NO6/c1-31-19-12-8-17(9-13-19)24(29)22-21(23(28)16-6-4-3-5-7-16)26(33-27-22)25(30)18-10-14-20(32-2)15-11-18/h3-15H,1-2H3
InChIKeyPFSQWIHYDVQESA-UHFFFAOYSA-N
XLogP4.38
TPSA95.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
CID 161173543
isoquinolin-1-yl-(4-methoxyphenyl)methanone
CID 693112
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
2-(4-benzoylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 126958708
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
anisole;methyl 4-methoxybenzoate
CID 158093995
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone?
The IUPAC name of [3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone (CID 102455348) is [3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone.
What is the SMILES notation for [3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone?
The canonical SMILES for [3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone is COc1ccc(C(=O)c2noc(C(=O)c3ccc(OC)cc3)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone?
The InChIKey is PFSQWIHYDVQESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO6/c1-31-19-12-8-17(9-13-19)24(29)22-21(23(28)16-6-4-3-5-7-16)26(33-27-22)25(30)18-10-14-20(32-2)15-11-18/h3-15H,1-2H3.
What are the key properties of [3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone?
[3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone has a molecular weight of 441.44 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(4-methoxybenzoyl)-1,2-oxazol-4-yl]-phenylmethanone is sourced from PubChem (CID 102455348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).