bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone

C15H8N2O5 — CID 174634170

IUPACbis(6-hydroxy-1,3-benzoxazol-2-yl)methanone
SMILESO=C(c1nc2ccc(O)cc2o1)c1nc2ccc(O)cc2o1
InChIInChI=1S/C15H8N2O5/c18-7-1-3-9-11(5-7)21-14(16-9)13(20)15-17-10-4-2-8(19)6-12(10)22-15/h1-6,18-19H
InChIKeyOCPXVGCWYHVHAS-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.61
Rot. Bonds2

About bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone

bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone (PubChem CID 174634170) has the molecular formula C15H8N2O5 and a molecular weight of 296.24 g/mol. Its IUPAC name is bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone.

Molecular Properties

Compound Namebis(6-hydroxy-1,3-benzoxazol-2-yl)methanone
PubChem CID174634170
Molecular FormulaC15H8N2O5
Molecular Weight296.24 g/mol
Exact Mass296.04
IUPAC Namebis(6-hydroxy-1,3-benzoxazol-2-yl)methanone
SMILESO=C(c1nc2ccc(O)cc2o1)c1nc2ccc(O)cc2o1
InChIInChI=1S/C15H8N2O5/c18-7-1-3-9-11(5-7)21-14(16-9)13(20)15-17-10-4-2-8(19)6-12(10)22-15/h1-6,18-19H
InChIKeyOCPXVGCWYHVHAS-UHFFFAOYSA-N
XLogP2.61
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydroxy-1,3-benzoxazole-2-carbaldehyde
CID 82415216
2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol
CID 91417035
5-hydroxy-1,3-benzoxazole-2-carbonyl chloride
CID 131010337
4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
CID 135522275
bis(6-hydroxy-1-benzofuran-2-yl)methanone
CID 13393486
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
6-(chloromethyl)-1,3-benzoxazole-2-carbonyl chloride
CID 130792984
2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol
CID 22733420
2-acetyl-1,3-benzoxazole-6-sulfonyl chloride
CID 131464668
2-anilino-1,3-benzoxazol-6-ol;ethane
CID 91286009
2-bromo-1-(6-ethyl-1,3-benzoxazol-2-yl)ethanone
CID 131325415
N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 57136713

Frequently Asked Questions

What is the IUPAC name of bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone?
The IUPAC name of bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone (CID 174634170) is bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone.
What is the SMILES notation for bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone?
The canonical SMILES for bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone is O=C(c1nc2ccc(O)cc2o1)c1nc2ccc(O)cc2o1.
What is the InChIKey of bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone?
The InChIKey is OCPXVGCWYHVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O5/c18-7-1-3-9-11(5-7)21-14(16-9)13(20)15-17-10-4-2-8(19)6-12(10)22-15/h1-6,18-19H.
What are the key properties of bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone?
bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone has a molecular weight of 296.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone is sourced from PubChem (CID 174634170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).