3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one

C27H17N3O6Si — CID 102320886

IUPAC3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1[Si](c1ccccc1)(n1c(=O)oc2ccccc21)n1c(=O)oc2ccccc21
InChIInChI=1S/C27H17N3O6Si/c31-25-28(19-12-4-7-15-22(19)34-25)37(18-10-2-1-3-11-18,29-20-13-5-8-16-23(20)35-26(29)32)30-21-14-6-9-17-24(21)36-27(30)33/h1-17H
InChIKeySJEFIPVJSVYFRM-UHFFFAOYSA-N
MW507.53 g/mol
LogP3.20
Rot. Bonds4

About 3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one

3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one (PubChem CID 102320886) has the molecular formula C27H17N3O6Si and a molecular weight of 507.53 g/mol. Its IUPAC name is 3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one
PubChem CID102320886
Molecular FormulaC27H17N3O6Si
Molecular Weight507.53 g/mol
Exact Mass507.09
IUPAC Name3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1[Si](c1ccccc1)(n1c(=O)oc2ccccc21)n1c(=O)oc2ccccc21
InChIInChI=1S/C27H17N3O6Si/c31-25-28(19-12-4-7-15-22(19)34-25)37(18-10-2-1-3-11-18,29-20-13-5-8-16-23(20)35-26(29)32)30-21-14-6-9-17-24(21)36-27(30)33/h1-17H
InChIKeySJEFIPVJSVYFRM-UHFFFAOYSA-N
XLogP3.20
TPSA105.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-amino-1,3-benzoxazol-2-one
CID 11412466
3-(benzhydrylideneamino)-1,3-benzoxazol-2-one
CID 178098709
(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide
CID 69238074
3-(3-phenylprop-2-enoyl)-1,3-benzoxazol-2-one
CID 54360408
3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
CID 2799290
3-(1-chloroprop-2-enyl)-1,3-benzoxazol-2-one
CID 67297809
benzyl 2-oxo-1,3-benzoxazole-3-carboxylate
CID 56688108
3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
CID 20965391
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde
CID 113372347
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 46528508

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one (CID 102320886) is 3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1[Si](c1ccccc1)(n1c(=O)oc2ccccc21)n1c(=O)oc2ccccc21.
What is the InChIKey of 3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one?
The InChIKey is SJEFIPVJSVYFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O6Si/c31-25-28(19-12-4-7-15-22(19)34-25)37(18-10-2-1-3-11-18,29-20-13-5-8-16-23(20)35-26(29)32)30-21-14-6-9-17-24(21)36-27(30)33/h1-17H.
What are the key properties of 3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one?
3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one has a molecular weight of 507.53 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 102320886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).