1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one

C24H18N2O6 — CID 157452511

IUPAC1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one
SMILESO=Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)CCc3ccccc3)no2)cc1
InChIInChI=1S/C24H18N2O6/c27-17-12-21(29)24(22(13-17)31-18-9-7-16(25-30)8-10-18)23-14-19(26-32-23)20(28)11-6-15-4-2-1-3-5-15/h1-5,7-10,12-14,27,29H,6,11H2
InChIKeyBSYSOKQQRBZFBH-UHFFFAOYSA-N
MW430.42 g/mol
LogP5.76
Rot. Bonds8

About 1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one

1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one (PubChem CID 157452511) has the molecular formula C24H18N2O6 and a molecular weight of 430.42 g/mol. Its IUPAC name is 1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one
PubChem CID157452511
Molecular FormulaC24H18N2O6
Molecular Weight430.42 g/mol
Exact Mass430.12
IUPAC Name1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one
SMILESO=Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)CCc3ccccc3)no2)cc1
InChIInChI=1S/C24H18N2O6/c27-17-12-21(29)24(22(13-17)31-18-9-7-16(25-30)8-10-18)23-14-19(26-32-23)20(28)11-6-15-4-2-1-3-5-15/h1-5,7-10,12-14,27,29H,6,11H2
InChIKeyBSYSOKQQRBZFBH-UHFFFAOYSA-N
XLogP5.76
TPSA122.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.42
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one (CID 157452511) is 1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one is O=Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)CCc3ccccc3)no2)cc1.
What is the InChIKey of 1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one?
The InChIKey is BSYSOKQQRBZFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O6/c27-17-12-21(29)24(22(13-17)31-18-9-7-16(25-30)8-10-18)23-14-19(26-32-23)20(28)11-6-15-4-2-1-3-5-15/h1-5,7-10,12-14,27,29H,6,11H2.
What are the key properties of 1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one?
1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one has a molecular weight of 430.42 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2,4-dihydroxy-6-(4-nitrosophenoxy)phenyl]-1,2-oxazol-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 157452511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).